![CAS 1071455-03-2 2-ThiazolaMine, 5-(5-broMo-1H-pyrrolo[2,3-b]pyridin-3-yl)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1071455-03-2.gif)
CAS RN: 1071455-03-2
2-ThiazolaMine, 5-(5-broMo-1H-pyrrolo[2,3-b]pyridin-3-yl)-
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251005 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1071455-03-2
- Purity/Analytical Methods: >99.0%
1071455-03-2 / 5-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-amine
5-(5-Bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)thiazol-2-amine | 2-Thiazolamine, 5-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)- | 5-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-amine
Basic Information
CAS
1071455-03-2
Multi CAS
No
Molecular Formula
C10H7BrN4S
Molecular Weight
295.160000
Exact Mass
293.957480
SMILES
C1=C(C=NC2=C1C(=CN2)C3=CN=C(S3)N)Br
InChI
InChI=1S/C10H7BrN4S/c11-5-1-6-7(3-14-9(6)13-2-5)8-4-15-10(12)16-8/h1-4H,(H2,12,15)(H,13,14)
InChIKey
OIHVNHRMRIRPFR-UHFFFAOYSA-N
Synonyms
5-(5-Bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)thiazol-2-amine
2-Thiazolamine, 5-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-
5-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-amine
5-{5-BROMO-1H-PYRROLO[2,3-B]PYRIDIN-3-YL}-1,3-THIAZOL-2-AMINE
SCHEMBL5067363
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
14
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
2
Molar refractivity
69.31
TPSA
67.59
LogP / Solubility
WLOGP
3.03
MLOGP
2.68
XLogP3
2.3
Consensus LogP
2.67
Log S (ESOL)
-4.16
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.17
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.21
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.37
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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