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CAS 1159816-42-8 4-Bromo-2-(cyclopropylamino)thiazole molecular structure lightbox
CAS RN: 1159816-42-8

4-Bromo-2-(cyclopropylamino)thiazole

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251123 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1159816-42-8
  • Purity/Analytical Methods: >99.0%
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1159816-42-8 / 4-bromo-N-cyclopropyl-1,3-thiazol-2-amine

4-BROMO-N-CYCLOPROPYLTHIAZOL-2-AMINE | 4-BROMO-2-(CYCLOPROPYLAMINO)THIAZOLE | 4-BROMO-N-CYCLOPROPYL-1,3-THIAZOL-2-AMINE

Standard CAS: 1159816-42-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1159816-42-8
Multi CAS
No
Molecular Formula
C6H7BrN2S
Molecular Weight
219.100000
Exact Mass
217.951330
SMILES
C1CC1NC2=NC(=CS2)Br
InChI
InChI=1S/C6H7BrN2S/c7-5-3-10-6(9-5)8-4-1-2-4/h3-4H,1-2H2,(H,8,9)
InChIKey
CSPHLAXGFGXNCA-UHFFFAOYSA-N
Synonyms
4-BROMO-N-CYCLOPROPYLTHIAZOL-2-AMINE 4-BROMO-2-(CYCLOPROPYLAMINO)THIAZOLE 4-BROMO-N-CYCLOPROPYL-1,3-THIAZOL-2-AMINE SCHEMBL708465 CSPHLAXGFGXNCA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
5
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
46.46
TPSA
24.92

LogP / Solubility

WLOGP
2.48
MLOGP
2.18
XLogP3
2.8
Consensus LogP
2.49
Log S (ESOL)
-3
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.15
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.38
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.3

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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