CAS RN: 32278-56-1

2-Methyl-5-oxo-[1,3]thiazolo[3,2-a]pyriMidine-6-carboxylic acid

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  • Product code: starshine_CAS32278-56-1
  • Purity/Analytical Methods: >99.0%
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32278-56-1 / 2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid

Standard CAS: 32278-56-1 Multi CAS: No

Basic Information

CAS
32278-56-1
Multi CAS
No
Molecular Formula
C8H6N2O3S
Molecular Weight
210.210000
Exact Mass
210.009913
InChI
InChI=1S/C8H6N2O3S/c1-4-3-10-6(11)5(7(12)13)2-9-8(10)14-4/h2-3H,1H3,(H,12,13)
InChIKey
UPPPMRSHTNROCH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
9
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
5
H-bond donors
1
Molar refractivity
51.04
TPSA
71.67

LogP / Solubility

WLOGP
0.76
MLOGP
0.67
XLogP3
0.8
Consensus LogP
0.74
Log S (ESOL)
-2.03
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.83
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.78
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)
-3.46

Drug-likeness / Medicinal Chemistry

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

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