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CAS 93363-11-2 3-(3-pyridinyl)-1H,3H-pyrrolo(1,2-c)thiazole-7-carboxamide molecular structure lightbox
CAS RN: 93363-11-2

3-(3-pyridinyl)-1H,3H-pyrrolo(1,2-c)thiazole-7-carboxamide

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  • Product code: starshine_CAS93363-11-2
  • Purity/Analytical Methods: >99.0%
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93363-11-2 / 3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-7-carboxamide

Standard CAS: 93363-11-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
93363-11-2
Multi CAS
Yes
Molecular Formula
C12H11N3OS
Molecular Weight
245.300000
Exact Mass
245.062283
InChI
InChI=1S/C12H11N3OS/c13-11(16)9-3-5-15-10(9)7-17-12(15)8-2-1-4-14-6-8/h1-6,12H,7H2,(H2,13,16)
InChIKey
ARFOASMERCHFBY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
11
Fraction Csp3
0.17
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
66.62
TPSA
60.91

LogP / Solubility

WLOGP
1.78
MLOGP
1.57
XLogP3
0.5
Consensus LogP
1.28
Log S (ESOL)
-2.83
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.85
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.97
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.96

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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