2-methylsulfanyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyridine-4-carboxamide

C12H10F3N3OS2 — CID 122142093

IUPAC2-methylsulfanyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyridine-4-carboxamide
SMILESCSc1cc(C(=O)NCc2nc(C(F)(F)F)cs2)ccn1
InChIInChI=1S/C12H10F3N3OS2/c1-20-9-4-7(2-3-16-9)11(19)17-5-10-18-8(6-21-10)12(13,14)15/h2-4,6H,5H2,1H3,(H,17,19)
InChIKeyIUXQAKQRVXNKLF-UHFFFAOYSA-N
MW333.36 g/mol
LogP3.21
Rot. Bonds4

About 2-methylsulfanyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyridine-4-carboxamide

2-methylsulfanyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyridine-4-carboxamide (PubChem CID 122142093) has the molecular formula C12H10F3N3OS2 and a molecular weight of 333.36 g/mol. Its IUPAC name is 2-methylsulfanyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-methylsulfanyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyridine-4-carboxamide
PubChem CID122142093
Molecular FormulaC12H10F3N3OS2
Molecular Weight333.36 g/mol
Exact Mass333.02
IUPAC Name2-methylsulfanyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyridine-4-carboxamide
SMILESCSc1cc(C(=O)NCc2nc(C(F)(F)F)cs2)ccn1
InChIInChI=1S/C12H10F3N3OS2/c1-20-9-4-7(2-3-16-9)11(19)17-5-10-18-8(6-21-10)12(13,14)15/h2-4,6H,5H2,1H3,(H,17,19)
InChIKeyIUXQAKQRVXNKLF-UHFFFAOYSA-N
XLogP3.21
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.36
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,4-difluoro-5-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]benzamide
CID 122145800
4-(dimethylamino)-2-fluoro-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]benzamide
CID 122157606
2-methylsulfanyl-N-(1,3-thiazol-2-yl)pyridine-4-carboxamide
CID 60564390
4-acetyl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]benzamide
CID 71993341
N-ethyl-3-[[[N'-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]carbamimidoyl]amino]methyl]benzamide
CID 111615643
2-methyl-3-oxo-3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methylamino]propanoic acid
CID 122065646
2-(2-aminoethyl)-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-1,3-thiazole-4-carboxamide
CID 120634282
3-amino-N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]benzamide
CID 119878887
1-(5-fluoro-2-pyridinyl)-3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]urea
CID 86800062
2-hydrazinyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyridine-4-carboxamide
CID 62247850
4-bromo-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-(trifluoromethyl)benzamide
CID 81448940
2-ethyl-5-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methylcarbamoyl]furan-3-carboxylic acid
CID 120821934

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyridine-4-carboxamide?
The IUPAC name of 2-methylsulfanyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyridine-4-carboxamide (CID 122142093) is 2-methylsulfanyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-methylsulfanyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyridine-4-carboxamide?
The canonical SMILES for 2-methylsulfanyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyridine-4-carboxamide is CSc1cc(C(=O)NCc2nc(C(F)(F)F)cs2)ccn1.
What is the InChIKey of 2-methylsulfanyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyridine-4-carboxamide?
The InChIKey is IUXQAKQRVXNKLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N3OS2/c1-20-9-4-7(2-3-16-9)11(19)17-5-10-18-8(6-21-10)12(13,14)15/h2-4,6H,5H2,1H3,(H,17,19).
What are the key properties of 2-methylsulfanyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyridine-4-carboxamide?
2-methylsulfanyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyridine-4-carboxamide has a molecular weight of 333.36 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyridine-4-carboxamide is sourced from PubChem (CID 122142093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).