N-(5-methyl-1,3-thiazol-2-yl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide

C12H10F3N3O2S — CID 31939975

IUPACN-(5-methyl-1,3-thiazol-2-yl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESCc1cnc(NC(=O)Cn2cccc(C(F)(F)F)c2=O)s1
InChIInChI=1S/C12H10F3N3O2S/c1-7-5-16-11(21-7)17-9(19)6-18-4-2-3-8(10(18)20)12(13,14)15/h2-5H,6H2,1H3,(H,16,17,19)
InChIKeyAMHXNPNQSRLBSN-UHFFFAOYSA-N
MW317.29 g/mol
LogP2.27
Rot. Bonds3

About N-(5-methyl-1,3-thiazol-2-yl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide

N-(5-methyl-1,3-thiazol-2-yl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide (PubChem CID 31939975) has the molecular formula C12H10F3N3O2S and a molecular weight of 317.29 g/mol. Its IUPAC name is N-(5-methyl-1,3-thiazol-2-yl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide.

Molecular Properties

Compound NameN-(5-methyl-1,3-thiazol-2-yl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
PubChem CID31939975
Molecular FormulaC12H10F3N3O2S
Molecular Weight317.29 g/mol
Exact Mass317.04
IUPAC NameN-(5-methyl-1,3-thiazol-2-yl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESCc1cnc(NC(=O)Cn2cccc(C(F)(F)F)c2=O)s1
InChIInChI=1S/C12H10F3N3O2S/c1-7-5-16-11(21-7)17-9(19)6-18-4-2-3-8(10(18)20)12(13,14)15/h2-5H,6H2,1H3,(H,16,17,19)
InChIKeyAMHXNPNQSRLBSN-UHFFFAOYSA-N
XLogP2.27
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.29
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-hydroxy-N-(5-methylthiazol-2-yl)pyrimidine-4-carboxamide
CID 136666419
2-acetamido-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1,3-thiazole-5-carboxamide
CID 167587644
(3E,4E)-4-ethylidene-3-prop-2-enylidene-1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-2-one;N-methyl-2-piperazin-1-ylacetamide
CID 178768471
2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 24555165
2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(1,3-thiazol-2-yl)acetamide
CID 25947166
N-(5-methyl-1,3-thiazol-2-yl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 25948124
2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]-N-(1,3-thiazol-2-yl)acetamide
CID 31700678
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
CID 32208442
1-[[2-(Propylamino)-1,3-thiazol-5-yl]methyl]-5-(trifluoromethyl)pyridin-2-one
CID 79760514
1-[[2-(Ethylamino)-1,3-thiazol-5-yl]methyl]-5-(trifluoromethyl)pyridin-2-one
CID 79775313
1-[[2-(Propylamino)-1,3-thiazol-5-yl]methyl]-6-(trifluoromethyl)pyridin-2-one
CID 81311021
1-[[2-(Ethylamino)-1,3-thiazol-5-yl]methyl]-6-(trifluoromethyl)pyridin-2-one
CID 81319539

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,3-thiazol-2-yl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide?
The IUPAC name of N-(5-methyl-1,3-thiazol-2-yl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide (CID 31939975) is N-(5-methyl-1,3-thiazol-2-yl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide.
What is the SMILES notation for N-(5-methyl-1,3-thiazol-2-yl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide?
The canonical SMILES for N-(5-methyl-1,3-thiazol-2-yl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide is Cc1cnc(NC(=O)Cn2cccc(C(F)(F)F)c2=O)s1.
What is the InChIKey of N-(5-methyl-1,3-thiazol-2-yl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide?
The InChIKey is AMHXNPNQSRLBSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N3O2S/c1-7-5-16-11(21-7)17-9(19)6-18-4-2-3-8(10(18)20)12(13,14)15/h2-5H,6H2,1H3,(H,16,17,19).
What are the key properties of N-(5-methyl-1,3-thiazol-2-yl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide?
N-(5-methyl-1,3-thiazol-2-yl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide has a molecular weight of 317.29 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,3-thiazol-2-yl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide is sourced from PubChem (CID 31939975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).