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CAS 1235439-10-7 N,2-Dimethyl-1,3-thiazole-5-carboxamide molecular structure lightbox
CAS RN: 1235439-10-7

N,2-Dimethyl-1,3-thiazole-5-carboxamide

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260311 100mg / 250mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1235439-10-7
  • Purity/Analytical Methods: >99.0%
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1235439-10-7 / N,2-dimethyl-1,3-thiazole-5-carboxamide

Standard CAS: 1235439-10-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1235439-10-7
Multi CAS
No
Molecular Formula
C6H8N2OS
Molecular Weight
156.210000
Exact Mass
156.035734
SMILES
CC1=NC=C(S1)C(=O)NC
InChI
InChI=1S/C6H8N2OS/c1-4-8-3-5(10-4)6(9)7-2/h3H,1-2H3,(H,7,9)
InChIKey
PUIJVJNJITYIIM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
5
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
40.24
TPSA
41.99

LogP / Solubility

WLOGP
0.81
MLOGP
0.71
XLogP3
1
Consensus LogP
0.84
Log S (ESOL)
-1.62
Class (ESOL)
Soluble
Log S (Ali)
-1.43
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.47
Class (SILICOS-IT)
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)
-3.1

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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