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CAS 1095823-62-3 5-ThiazolecarboxaMide, 2-[(1R)-1-aMinoethyl]-N-[5-chloro-4-(trifluoroMethyl)-2-pyridinyl]- molecular structure lightbox
CAS RN: 1095823-62-3

5-ThiazolecarboxaMide, 2-[(1R)-1-aMinoethyl]-N-[5-chloro-4-(trifluoroMethyl)-2-pyridinyl]-

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Batchno.20251219 25mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1095823-62-3
  • Purity/Analytical Methods: >99.0%
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1095823-62-3 / 2-[(1R)-1-aminoethyl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide

(R)-2-(1-aminoethyl)-N-(5-chloro-4-(trifluoromethyl)pyridin-2-yl)thiazole-5-carboxamide | 2-[(1R)-1-aminoethyl]-N-[5-chloro-4-(trifluoromethyl)pyridin-2-yl]-1,3-thiazole-5-carboxamide | 5-Thiazolecarboxamide, 2-[(1R)-1-aminoethyl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-

Standard CAS: 1095823-62-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1095823-62-3
Multi CAS
Yes
Molecular Formula
C12H10ClF3N4OS
Molecular Weight
350.750000
Exact Mass
350.021594
SMILES
C[C@H](C1=NC=C(S1)C(=O)NC2=NC=C(C(=C2)C(F)(F)F)Cl)N
InChI
InChI=1S/C12H10ClF3N4OS/c1-5(17)11-19-4-8(22-11)10(21)20-9-2-6(12(14,15)16)7(13)3-18-9/h2-5H,17H2,1H3,(H,18,20,21)/t5-/m1/s1
InChIKey
OVDOTYJKKSGNGE-RXMQYKEDSA-N
Synonyms
(R)-2-(1-aminoethyl)-N-(5-chloro-4-(trifluoromethyl)pyridin-2-yl)thiazole-5-carboxamide 2-[(1R)-1-aminoethyl]-N-[5-chloro-4-(trifluoromethyl)pyridin-2-yl]-1,3-thiazole-5-carboxamide 5-Thiazolecarboxamide, 2-[(1R)-1-aminoethyl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]- SCHEMBL10183998 SCHEMBL30664397

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
11
Fraction Csp3
0.25
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
2
Molar refractivity
76.92
TPSA
80.9

LogP / Solubility

WLOGP
3.48
MLOGP
3.08
XLogP3
2.2
Consensus LogP
2.92
Log S (ESOL)
-4.38
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.95
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.19
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.39

Drug-likeness / Medicinal Chemistry

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

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