3-(4-fluorophenyl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridine-2-carboxamide

C19H15FN6OS3 — CID 10411846

IUPAC3-(4-fluorophenyl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridine-2-carboxamide
SMILESCc1csc(NC(=O)c2nc(Sc3nncn3C)ccc2Sc2ccc(F)cc2)n1
InChIInChI=1S/C19H15FN6OS3/c1-11-9-28-18(22-11)24-17(27)16-14(29-13-5-3-12(20)4-6-13)7-8-15(23-16)30-19-25-21-10-26(19)2/h3-10H,1-2H3,(H,22,24,27)
InChIKeySJTQKYKXCYVFHX-UHFFFAOYSA-N
MW458.57 g/mol
LogP4.67
Rot. Bonds6

About 3-(4-fluorophenyl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridine-2-carboxamide

3-(4-fluorophenyl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridine-2-carboxamide (PubChem CID 10411846) has the molecular formula C19H15FN6OS3 and a molecular weight of 458.57 g/mol. Its IUPAC name is 3-(4-fluorophenyl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridine-2-carboxamide
PubChem CID10411846
Molecular FormulaC19H15FN6OS3
Molecular Weight458.57 g/mol
Exact Mass458.05
IUPAC Name3-(4-fluorophenyl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridine-2-carboxamide
SMILESCc1csc(NC(=O)c2nc(Sc3nncn3C)ccc2Sc2ccc(F)cc2)n1
InChIInChI=1S/C19H15FN6OS3/c1-11-9-28-18(22-11)24-17(27)16-14(29-13-5-3-12(20)4-6-13)7-8-15(23-16)30-19-25-21-10-26(19)2/h3-10H,1-2H3,(H,22,24,27)
InChIKeySJTQKYKXCYVFHX-UHFFFAOYSA-N
XLogP4.67
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.57
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 3-(4-fluorophenyl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridine-2-carboxamide with MolForge

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Related Compounds

2-[4-(Propan-2-Yl)-4h-1,2,4-Triazol-3-Yl]-N-(Pyridin-2-Yl)-1,3-Thiazole-4-Carboxamide
CID 124222752
6-(4H-1,2,4-triazol-3-ylthio)-3-(4-fluorophenylthio)-N-(thiazol-2-yl)picolinamide
CID 10342654
6-((4h-1,2,4-triazol-3-yl)thio)-3-((6-methylpyridin-3-yl)thio)-N-(1,2,4-thiadiazol-5-yl)picolinamide
CID 10365275
6-(4H-1,2,4-triazol-3-ylthio)-N-(thiazol-2-yl)-3-(4-(trifluoromethyl)phenylthio)picolinamide
CID 10412882
6-(4H-1,2,4-triazol-3-ylthio)-3-(2-fluorophenylthio)-N-(thiazol-2-yl)picolinamide
CID 10432843
6-(4H-1,2,4-triazol-3-ylthio)-3-(phenylthio)-N-(thiazol-2-yl)picolinamide
CID 10454363
6-(4H-1,2,4-triazol-3-ylthio)-3-(3-fluorophenylthio)-N-(thiazol-2-yl)picolinamide
CID 10455369
3-(4-fluorophenylthio)-6-(4-methyl-4H-1,2,4-triazol-3-ylthio)-N-(thiazol-2-yl)picolinamide
CID 45273147
N-[3-[4-(2-fluorophenyl)-5-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]cyclobutyl]pyridine-2-carboxamide
CID 146282390
1-methyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyrrole-2-carboxamide
CID 2594234
6-(4H-1,2,4-triazol-3-ylthio)-N-(thiazol-2-yl)-3-(m-tolylthio)picolinamide
CID 45271402
Ethyl 2-[[2-[[6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-[4-(trifluoromethyl)phenyl]sulfanylpyridine-2-carbonyl]amino]-1,3-thiazol-5-yl]sulfanyl]acetate
CID 76901077

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridine-2-carboxamide?
The IUPAC name of 3-(4-fluorophenyl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridine-2-carboxamide (CID 10411846) is 3-(4-fluorophenyl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridine-2-carboxamide.
What is the SMILES notation for 3-(4-fluorophenyl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridine-2-carboxamide?
The canonical SMILES for 3-(4-fluorophenyl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridine-2-carboxamide is Cc1csc(NC(=O)c2nc(Sc3nncn3C)ccc2Sc2ccc(F)cc2)n1.
What is the InChIKey of 3-(4-fluorophenyl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridine-2-carboxamide?
The InChIKey is SJTQKYKXCYVFHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN6OS3/c1-11-9-28-18(22-11)24-17(27)16-14(29-13-5-3-12(20)4-6-13)7-8-15(23-16)30-19-25-21-10-26(19)2/h3-10H,1-2H3,(H,22,24,27).
What are the key properties of 3-(4-fluorophenyl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridine-2-carboxamide?
3-(4-fluorophenyl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridine-2-carboxamide has a molecular weight of 458.57 g/mol, XLogP of 4.67, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridine-2-carboxamide is sourced from PubChem (CID 10411846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).