![CAS 1226443-41-9 4-Thiazoleacetamide, 2-[(6-methyl-2-pyridinyl)amino]-N-(5-methyl-2-thiazolyl)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1226443-41-9.gif)
CAS RN: 1226443-41-9
4-Thiazoleacetamide, 2-[(6-methyl-2-pyridinyl)amino]-N-(5-methyl-2-thiazolyl)-
Product Availability
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4 package records0 with current stock1 grade group
- Product code: starshine_CAS1226443-41-9
- Purity/Analytical Methods: >99.0%
1226443-41-9 / 2-[2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazol-4-yl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide
Basic Information
CAS
1226443-41-9
Multi CAS
No
Molecular Formula
C15H15N5OS2
Molecular Weight
345.400000
Exact Mass
345.071802
SMILES
CC1=NC(=CC=C1)NC2=NC(=CS2)CC(=O)NC3=NC=C(S3)C
InChI
InChI=1S/C15H15N5OS2/c1-9-4-3-5-12(17-9)19-15-18-11(8-22-15)6-13(21)20-14-16-7-10(2)23-14/h3-5,7-8H,6H2,1-2H3,(H,16,20,21)(H,17,18,19)
InChIKey
QMRBCNQCRMTXBE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
16
Fraction Csp3
0.2
Rotatable bonds
5
H-bond acceptors
7
H-bond donors
2
Molar refractivity
93.56
TPSA
79.8
LogP / Solubility
WLOGP
3.54
MLOGP
3.13
XLogP3
3.1
Consensus LogP
3.26
Log S (ESOL)
-4.39
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.95
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.44
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.32
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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