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CAS 570407-42-0 4-(4-chlorothiophen-2-yl)-5-(4-cyclohexylpiperazin-1-yl)thiazol-2-amine molecular structure lightbox
CAS RN: 570407-42-0

4-(4-chlorothiophen-2-yl)-5-(4-cyclohexylpiperazin-1-yl)thiazol-2-amine

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250806 50mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS570407-42-0
  • Purity/Analytical Methods: >99.0%
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570407-42-0 / 4-(4-chlorothiophen-2-yl)-5-(4-cyclohexylpiperazin-1-yl)-1,3-thiazol-2-amine

Standard CAS: 570407-42-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
570407-42-0
Multi CAS
No
Molecular Formula
C17H23CLN4S2
Molecular Weight
383.000000
Exact Mass
382.105267
InChI
InChI=1S/C17H23ClN4S2/c18-12-10-14(23-11-12)15-16(24-17(19)20-15)22-8-6-21(7-9-22)13-4-2-1-3-5-13/h10-11,13H,1-9H2,(H2,19,20)
InChIKey
FQQOPZRSAIEOGH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
10
Fraction Csp3
0.59
Rotatable bonds
3
H-bond acceptors
6
H-bond donors
1
Molar refractivity
105.51
TPSA
45.39

LogP / Solubility

WLOGP
4.56
MLOGP
4.04
XLogP3
4.7
Consensus LogP
4.43
Log S (ESOL)
-5.2
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.99
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.3
Class (SILICOS-IT)
Insoluble

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
Yes
Log Kp (skin permeation)
-1.82

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

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