![CAS 1042672-97-8 N-[2-Methoxy-4-(4-morpholinyl)phenyl]-2-(3-pyridinyl)-4-thiazolecarboxamide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1042672-97-8.gif)
CAS RN: 1042672-97-8
N-[2-Methoxy-4-(4-morpholinyl)phenyl]-2-(3-pyridinyl)-4-thiazolecarboxamide
Product Availability
Choose a grade to view its available package options.
6 package records6 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260420 | 10mg / 25mg / 100mg | Confirm by inquiry | Shanghai | 5-7 business days | Inquiry |
- Product code: starshine_CAS1042672-97-8
- Purity/Analytical Methods: >99.0%
1042672-97-8 / N-(2-methoxy-4-morpholin-4-ylphenyl)-2-pyridin-3-yl-1,3-thiazole-4-carboxamide
IRAK inhibitor 6 | IRAK-IN-6 | N-(2-methoxy-4-morpholinophenyl)-2-(pyridin-3-yl)thiazole-4-carboxamide
Basic Information
CAS
1042672-97-8
Multi CAS
No
Molecular Formula
C20H20N4O3S
Molecular Weight
396.500000
Exact Mass
396.125612
SMILES
COC1=C(C=CC(=C1)N2CCOCC2)NC(=O)C3=CSC(=N3)C4=CN=CC=C4
InChI
InChI=1S/C20H20N4O3S/c1-26-18-11-15(24-7-9-27-10-8-24)4-5-16(18)22-19(25)17-13-28-20(23-17)14-3-2-6-21-12-14/h2-6,11-13H,7-10H2,1H3,(H,22,25)
InChIKey
JQSRUVXPODZKAF-UHFFFAOYSA-N
Synonyms
IRAK inhibitor 6
IRAK-IN-6
N-(2-methoxy-4-morpholinophenyl)-2-(pyridin-3-yl)thiazole-4-carboxamide
N-(2-methoxy-4-morpholin-4-ylphenyl)-2-pyridin-3-yl-1,3-thiazole-4-carboxamide
N-[2-METHOXY-4-(4-MORPHOLINYL)PHENYL]-2-(3-PYRIDINYL)-4-THIAZOLECARBOXAMIDE
Computed Properties
Structural Parameters
Heavy atom count
28
Aromatic heavy atom count
17
Fraction Csp3
0.25
Rotatable bonds
5
H-bond acceptors
7
H-bond donors
1
Molar refractivity
109.32
TPSA
76.58
LogP / Solubility
WLOGP
3.3
MLOGP
2.93
XLogP3
2.4
Consensus LogP
2.88
Log S (ESOL)
-4.5
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.2
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.58
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.79
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
Customers Also Viewed
-
ABC-1183
- CAS RN: 1042735-18-1
- Product Code: starshine_CAS1042735-18-1
- Purity/Analytical method: >99.0%
-
5-(2-(pyrrolidin-1-yl)ethylthio)thiazol-2-amine
- CAS RN: 1042777-99-0
- Product Code: SSC-006033
-
2-[4-(Boc-aMino)-1-piperidinyl]pyridine-5-boronic acid pinacol ester
- CAS RN: 1042917-44-1
- Product Code: SSC-006048
-
tert-butyl 1-(5-bromopyridin-2-yl)piperidin-4-ylcarbamate
- CAS RN: 1042917-47-4
- Product Code: SSC-006049
-
4-(4-Boc-Piperazin-1-ylsulfonyl)phenylboronic acid pinacol ester
- CAS RN: 1042917-53-2
- Product Code: SSC-006050
-
2H-3,1-BENZOXAZIN-2-ONE, 7-AMINO-1,4-DIHYDRO
- CAS RN: 1042972-65-5
- Product Code: SSC-006055
![CAS 1042917-44-1 2-[4-(Boc-aMino)-1-piperidinyl]pyridine-5-boronic acid pinacol ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1042917-44-1.gif)
