2-(pyridin-2-ylamino)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide

C11H9F3N4OS — CID 52907421

IUPAC2-(pyridin-2-ylamino)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide
SMILESO=C(NCC(F)(F)F)c1csc(Nc2ccccn2)n1
InChIInChI=1S/C11H9F3N4OS/c12-11(13,14)6-16-9(19)7-5-20-10(17-7)18-8-3-1-2-4-15-8/h1-5H,6H2,(H,16,19)(H,15,17,18)
InChIKeyXQORWOJZNRQFHI-UHFFFAOYSA-N
MW302.28 g/mol
LogP2.57
Rot. Bonds4

About 2-(pyridin-2-ylamino)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide

2-(pyridin-2-ylamino)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide (PubChem CID 52907421) has the molecular formula C11H9F3N4OS and a molecular weight of 302.28 g/mol. Its IUPAC name is 2-(pyridin-2-ylamino)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(pyridin-2-ylamino)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide
PubChem CID52907421
Molecular FormulaC11H9F3N4OS
Molecular Weight302.28 g/mol
Exact Mass302.04
IUPAC Name2-(pyridin-2-ylamino)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide
SMILESO=C(NCC(F)(F)F)c1csc(Nc2ccccn2)n1
InChIInChI=1S/C11H9F3N4OS/c12-11(13,14)6-16-9(19)7-5-20-10(17-7)18-8-3-1-2-4-15-8/h1-5H,6H2,(H,16,19)(H,15,17,18)
InChIKeyXQORWOJZNRQFHI-UHFFFAOYSA-N
XLogP2.57
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.28
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 46209426
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N-(5-methyl-1,3-thiazol-2-yl)pyridine-2-carboxamide
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1-Phenyl-3-(4-pyridin-2-yl-thiazol-2-yl)-urea
CID 10590030
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CID 2594420
1-(2,4-Difluorophenyl)-3-[4-(2-pyridinyl)-2-thiazolyl]urea
CID 4799115
N-[4'-methyl-2-(2-pyridinylamino)-4,5'-bi-1,3-thiazol-2'-yl]propanamide
CID 755435
6-(pyridin-2-ylamino)-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5(6H)-one
CID 3244383
Pyridine-2-carboxylic acid thiazol-2-ylamide
CID 1070711
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CID 3010086
2-(2,5-dioxopyrrolidin-1-yl)-N-(4-(pyridin-2-yl)thiazol-2-yl)acetamide
CID 4123400
N-(5-fluoro-2-pyridinyl)-2-methyl-5-(pyrimidin-5-ylamino)-1,3-thiazole-4-carboxamide
CID 11515445

Frequently Asked Questions

What is the IUPAC name of 2-(pyridin-2-ylamino)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(pyridin-2-ylamino)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide (CID 52907421) is 2-(pyridin-2-ylamino)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(pyridin-2-ylamino)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(pyridin-2-ylamino)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide is O=C(NCC(F)(F)F)c1csc(Nc2ccccn2)n1.
What is the InChIKey of 2-(pyridin-2-ylamino)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide?
The InChIKey is XQORWOJZNRQFHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N4OS/c12-11(13,14)6-16-9(19)7-5-20-10(17-7)18-8-3-1-2-4-15-8/h1-5H,6H2,(H,16,19)(H,15,17,18).
What are the key properties of 2-(pyridin-2-ylamino)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide?
2-(pyridin-2-ylamino)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide has a molecular weight of 302.28 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyridin-2-ylamino)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 52907421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).