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CAS 39136-62-4 5-butylthiazol-2-aMine molecular structure lightbox
CAS RN: 39136-62-4

5-butylthiazol-2-aMine

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260605 100mg / 250mg Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS39136-62-4
  • Purity/Analytical Methods: >99.0%
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39136-62-4 / 5-butyl-1,3-thiazol-2-amine

Standard CAS: 39136-62-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
39136-62-4
Multi CAS
No
Molecular Formula
C7H12N2S
Molecular Weight
156.250000
Exact Mass
156.072120
InChI
InChI=1S/C7H12N2S/c1-2-3-4-6-5-9-7(8)10-6/h5H,2-4H2,1H3,(H2,8,9)
InChIKey
DSSQRZNGLWNALI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
5
Fraction Csp3
0.57
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
45.14
TPSA
38.91

LogP / Solubility

WLOGP
2.07
MLOGP
1.81
XLogP3
2.3
Consensus LogP
2.06
Log S (ESOL)
-2.28
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.33
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.75
Class (SILICOS-IT)
Moderately 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)
-2.2

Drug-likeness / Medicinal Chemistry

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

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