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CAS 560103-80-2 N-[4-(2,4-Dimethylphenyl)-2-thiazolyl]-4-pyridinecarboxamide molecular structure lightbox
CAS RN: 560103-80-2

N-[4-(2,4-Dimethylphenyl)-2-thiazolyl]-4-pyridinecarboxamide

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251227 10mg Out of stock 8-10 business days Inquiry
  • Product code: ICTD5563
  • Purity/Analytical Methods: >98.0%(HPLC)
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560103-80-2 / N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide

Standard CAS: 560103-80-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
560103-80-2
Multi CAS
No
Molecular Formula
C17H15N3OS
Molecular Weight
309.400000
Exact Mass
309.093583
InChI
InChI=1S/C17H15N3OS/c1-11-3-4-14(12(2)9-11)15-10-22-17(19-15)20-16(21)13-5-7-18-8-6-13/h3-10H,1-2H3,(H,19,20,21)
InChIKey
IBQLKKBLBXJSGU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
17
Fraction Csp3
0.12
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
89.21
TPSA
54.88

LogP / Solubility

WLOGP
4.07
MLOGP
3.6
XLogP3
3.4
Consensus LogP
3.69
Log S (ESOL)
-4.7
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.04
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.41
Class (SILICOS-IT)
Slightly soluble

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
No
Log Kp (skin permeation)
-1.71

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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