N-(5-ethyl-1,3-thiazol-2-yl)-2-oxo-5-(trifluoromethyl)-1H-pyridine-3-carboxamide

C12H10F3N3O2S — CID 136558359

IUPACN-(5-ethyl-1,3-thiazol-2-yl)-2-oxo-5-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESCCc1cnc(NC(=O)c2cc(C(F)(F)F)c[nH]c2=O)s1
InChIInChI=1S/C12H10F3N3O2S/c1-2-7-5-17-11(21-7)18-10(20)8-3-6(12(13,14)15)4-16-9(8)19/h3-5H,2H2,1H3,(H,16,19)(H,17,18,20)
InChIKeyUGFZUTSUBBMSNJ-UHFFFAOYSA-N
MW317.29 g/mol
LogP2.66
Rot. Bonds3

About N-(5-ethyl-1,3-thiazol-2-yl)-2-oxo-5-(trifluoromethyl)-1H-pyridine-3-carboxamide

N-(5-ethyl-1,3-thiazol-2-yl)-2-oxo-5-(trifluoromethyl)-1H-pyridine-3-carboxamide (PubChem CID 136558359) has the molecular formula C12H10F3N3O2S and a molecular weight of 317.29 g/mol. Its IUPAC name is N-(5-ethyl-1,3-thiazol-2-yl)-2-oxo-5-(trifluoromethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(5-ethyl-1,3-thiazol-2-yl)-2-oxo-5-(trifluoromethyl)-1H-pyridine-3-carboxamide
PubChem CID136558359
Molecular FormulaC12H10F3N3O2S
Molecular Weight317.29 g/mol
Exact Mass317.04
IUPAC NameN-(5-ethyl-1,3-thiazol-2-yl)-2-oxo-5-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESCCc1cnc(NC(=O)c2cc(C(F)(F)F)c[nH]c2=O)s1
InChIInChI=1S/C12H10F3N3O2S/c1-2-7-5-17-11(21-7)18-10(20)8-3-6(12(13,14)15)4-16-9(8)19/h3-5H,2H2,1H3,(H,16,19)(H,17,18,20)
InChIKeyUGFZUTSUBBMSNJ-UHFFFAOYSA-N
XLogP2.66
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.29
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(5-ethyl-1,3-thiazol-2-yl)carbamic acid
CID 90989275
ethyl 2-[(5-ethyl-1,3-thiazol-2-yl)carbamoyl]benzoate
CID 54138651
2-amino-N-(5-ethyl-1,3-thiazol-2-yl)-2-methylpropanamide
CID 119307130
2-[(5-ethyl-1,3-thiazol-2-yl)carbamoyl]benzenesulfonic acid
CID 54057467
2-cyano-N-(5-ethyl-1,3-thiazol-2-yl)benzamide
CID 54382001
5-ethyl-N-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
CID 91324659
5-ethyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-1H-pyrazole-3-carboxamide
CID 78902755
N-(5-ethyl-1,3-thiazol-2-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 166218577
N-[4-methyl-3-(3-methylbutan-2-yl)phenyl]-2-oxo-5-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 170149217
2,3-dimethoxy-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]benzamide
CID 24575784
5-oxo-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 78843673
3-ethyl-1-methyl-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]pyrazole-5-carboxamide
CID 46970156

Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1,3-thiazol-2-yl)-2-oxo-5-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of N-(5-ethyl-1,3-thiazol-2-yl)-2-oxo-5-(trifluoromethyl)-1H-pyridine-3-carboxamide (CID 136558359) is N-(5-ethyl-1,3-thiazol-2-yl)-2-oxo-5-(trifluoromethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(5-ethyl-1,3-thiazol-2-yl)-2-oxo-5-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(5-ethyl-1,3-thiazol-2-yl)-2-oxo-5-(trifluoromethyl)-1H-pyridine-3-carboxamide is CCc1cnc(NC(=O)c2cc(C(F)(F)F)c[nH]c2=O)s1.
What is the InChIKey of N-(5-ethyl-1,3-thiazol-2-yl)-2-oxo-5-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The InChIKey is UGFZUTSUBBMSNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N3O2S/c1-2-7-5-17-11(21-7)18-10(20)8-3-6(12(13,14)15)4-16-9(8)19/h3-5H,2H2,1H3,(H,16,19)(H,17,18,20).
What are the key properties of N-(5-ethyl-1,3-thiazol-2-yl)-2-oxo-5-(trifluoromethyl)-1H-pyridine-3-carboxamide?
N-(5-ethyl-1,3-thiazol-2-yl)-2-oxo-5-(trifluoromethyl)-1H-pyridine-3-carboxamide has a molecular weight of 317.29 g/mol, XLogP of 2.66, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-1,3-thiazol-2-yl)-2-oxo-5-(trifluoromethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 136558359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).