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CAS 1426047-44-0 4-([1,1′-biphenyl]-4-yl)-N-(6-methylpyridin-2-yl)thiazol-2-amine molecular structure lightbox
CAS RN: 1426047-44-0

4-([1,1′-biphenyl]-4-yl)-N-(6-methylpyridin-2-yl)thiazol-2-amine

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5 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260522 100mg Out of stock Inquiry
Batchno.20250806 10mg In stock Shanghai Inquiry
Batchno.20260316 250mg Out of stock Inquiry
Batchno.20251007 25mg In stock Shanghai Inquiry
Batchno.20250107 50mg In stock Shanghai Inquiry
  • Product code: starshine_CAS1426047-44-0
  • Purity/Analytical Methods: >99.0%
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1426047-44-0 / N-(6-methyl-2-pyridinyl)-4-(4-phenylphenyl)-1,3-thiazol-2-amine

Standard CAS: 1426047-44-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1426047-44-0
Multi CAS
No
Molecular Formula
C21H17N3S
Molecular Weight
343.400000
Exact Mass
343.114319
SMILES
CC1=NC(=CC=C1)NC2=NC(=CS2)C3=CC=C(C=C3)C4=CC=CC=C4
InChI
InChI=1S/C21H17N3S/c1-15-6-5-9-20(22-15)24-21-23-19(14-25-21)18-12-10-17(11-13-18)16-7-3-2-4-8-16/h2-14H,1H3,(H,22,23,24)
InChIKey
FDBBOBMQYVUQMF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Aromatic heavy atom count
23
Fraction Csp3
0.05
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
1
Molar refractivity
105.24
TPSA
37.81

LogP / Solubility

WLOGP
5.92
MLOGP
5.23
XLogP3
5.8
Consensus LogP
5.65
Log S (ESOL)
-6.12
Class (ESOL)
Insoluble
Log S (Ali)
-6.65
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.29
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
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)
-0.61

Drug-likeness / Medicinal Chemistry

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

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