N-(1-ethyl-6-oxo-3-pyridinyl)-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide

C12H10F3N3O2S — CID 146323312

IUPACN-(1-ethyl-6-oxo-3-pyridinyl)-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide
SMILESCCn1cc(NC(=O)c2csc(C(F)(F)F)n2)ccc1=O
InChIInChI=1S/C12H10F3N3O2S/c1-2-18-5-7(3-4-9(18)19)16-10(20)8-6-21-11(17-8)12(13,14)15/h3-6H,2H2,1H3,(H,16,20)
InChIKeyKPJAVBNDZUMMLZ-UHFFFAOYSA-N
MW317.29 g/mol
LogP2.60
Rot. Bonds3

About N-(1-ethyl-6-oxo-3-pyridinyl)-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide

N-(1-ethyl-6-oxo-3-pyridinyl)-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide (PubChem CID 146323312) has the molecular formula C12H10F3N3O2S and a molecular weight of 317.29 g/mol. Its IUPAC name is N-(1-ethyl-6-oxo-3-pyridinyl)-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(1-ethyl-6-oxo-3-pyridinyl)-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide
PubChem CID146323312
Molecular FormulaC12H10F3N3O2S
Molecular Weight317.29 g/mol
Exact Mass317.04
IUPAC NameN-(1-ethyl-6-oxo-3-pyridinyl)-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide
SMILESCCn1cc(NC(=O)c2csc(C(F)(F)F)n2)ccc1=O
InChIInChI=1S/C12H10F3N3O2S/c1-2-18-5-7(3-4-9(18)19)16-10(20)8-6-21-11(17-8)12(13,14)15/h3-6H,2H2,1H3,(H,16,20)
InChIKeyKPJAVBNDZUMMLZ-UHFFFAOYSA-N
XLogP2.60
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 ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-ethyl-6-oxo-3-pyridinyl)-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(1-ethyl-6-oxo-3-pyridinyl)-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide (CID 146323312) is N-(1-ethyl-6-oxo-3-pyridinyl)-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(1-ethyl-6-oxo-3-pyridinyl)-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(1-ethyl-6-oxo-3-pyridinyl)-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide is CCn1cc(NC(=O)c2csc(C(F)(F)F)n2)ccc1=O.
What is the InChIKey of N-(1-ethyl-6-oxo-3-pyridinyl)-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide?
The InChIKey is KPJAVBNDZUMMLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N3O2S/c1-2-18-5-7(3-4-9(18)19)16-10(20)8-6-21-11(17-8)12(13,14)15/h3-6H,2H2,1H3,(H,16,20).
What are the key properties of N-(1-ethyl-6-oxo-3-pyridinyl)-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide?
N-(1-ethyl-6-oxo-3-pyridinyl)-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide has a molecular weight of 317.29 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethyl-6-oxo-3-pyridinyl)-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 146323312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).