N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-ethyl-1,3-thiazole-5-carboxamide

C12H9ClF3N3OS — CID 89433948

IUPACN-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-ethyl-1,3-thiazole-5-carboxamide
SMILESCCc1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1
InChIInChI=1S/C12H9ClF3N3OS/c1-2-10-18-5-8(21-10)11(20)19-9-3-6(12(14,15)16)7(13)4-17-9/h3-5H,2H2,1H3,(H,17,19,20)
InChIKeyFTPWFRDIQIBNOU-UHFFFAOYSA-N
MW335.74 g/mol
LogP4.03
Rot. Bonds3

About N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-ethyl-1,3-thiazole-5-carboxamide

N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-ethyl-1,3-thiazole-5-carboxamide (PubChem CID 89433948) has the molecular formula C12H9ClF3N3OS and a molecular weight of 335.74 g/mol. Its IUPAC name is N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-ethyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-ethyl-1,3-thiazole-5-carboxamide
PubChem CID89433948
Molecular FormulaC12H9ClF3N3OS
Molecular Weight335.74 g/mol
Exact Mass335.01
IUPAC NameN-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-ethyl-1,3-thiazole-5-carboxamide
SMILESCCc1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1
InChIInChI=1S/C12H9ClF3N3OS/c1-2-10-18-5-8(21-10)11(20)19-9-3-6(12(14,15)16)7(13)4-17-9/h3-5H,2H2,1H3,(H,17,19,20)
InChIKeyFTPWFRDIQIBNOU-UHFFFAOYSA-N
XLogP4.03
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.74
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[N-[bis(phosphanyl)methyl]-C-methylcarbonimidoyl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide
CID 175623963
2-ethyl-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 89433950
N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[(2,3-diethylimidazole-4-carbonyl)amino]ethyl]-1,3-thiazole-5-carboxamide
CID 77453797
4-N-[1-[5-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]carbamoyl]-1,3-thiazol-2-yl]ethyl]-6-N-ethylpyrimidine-4,6-dicarboxamide
CID 76568912
2-[4-(5-chloro-6-oxo-1H-pyrimidin-4-yl)-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide
CID 148793394
2-[1-(1-benzothiophene-5-carbonylamino)ethyl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide
CID 77453971
N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(2S)-4-[3-methyl-2-(methylamino)imidazol-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide
CID 159455849
N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[6-(2,4-dimethyl-1,3-thiazol-5-yl)-6-oxohexan-2-yl]-1,3-thiazole-5-carboxamide
CID 90970723
2-[4-(5-chloro-6-methoxypyrimidin-4-yl)-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide
CID 146967534
N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[(6-formylpyrimidine-4-carbonyl)amino]ethyl]-1,3-thiazole-5-carboxamide
CID 129090581
N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(2S)-4-(5-methyl-1-phenylpyrazol-4-yl)-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide
CID 159869617
2-[4-[6-(2-aminopyrimidin-5-yl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide
CID 149136613

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-ethyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-ethyl-1,3-thiazole-5-carboxamide (CID 89433948) is N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-ethyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-ethyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-ethyl-1,3-thiazole-5-carboxamide is CCc1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1.
What is the InChIKey of N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-ethyl-1,3-thiazole-5-carboxamide?
The InChIKey is FTPWFRDIQIBNOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClF3N3OS/c1-2-10-18-5-8(21-10)11(20)19-9-3-6(12(14,15)16)7(13)4-17-9/h3-5H,2H2,1H3,(H,17,19,20).
What are the key properties of N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-ethyl-1,3-thiazole-5-carboxamide?
N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-ethyl-1,3-thiazole-5-carboxamide has a molecular weight of 335.74 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-ethyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 89433948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).