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

C18H13FN6OS3 — CID 45273147

IUPAC3-(4-fluorophenyl)sulfanyl-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)pyridine-2-carboxamide
SMILESCn1cnnc1Sc1ccc(Sc2ccc(F)cc2)c(C(=O)Nc2nccs2)n1
InChIInChI=1S/C18H13FN6OS3/c1-25-10-21-24-18(25)29-14-7-6-13(28-12-4-2-11(19)3-5-12)15(22-14)16(26)23-17-20-8-9-27-17/h2-10H,1H3,(H,20,23,26)
InChIKeyYIYCQXYPCZMPSG-UHFFFAOYSA-N
MW444.54 g/mol
LogP4.36
Rot. Bonds6

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

3-(4-fluorophenyl)sulfanyl-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)pyridine-2-carboxamide (PubChem CID 45273147) has the molecular formula C18H13FN6OS3 and a molecular weight of 444.54 g/mol. Its IUPAC name is 3-(4-fluorophenyl)sulfanyl-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)sulfanyl-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)pyridine-2-carboxamide
PubChem CID45273147
Molecular FormulaC18H13FN6OS3
Molecular Weight444.54 g/mol
Exact Mass444.03
IUPAC Name3-(4-fluorophenyl)sulfanyl-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)pyridine-2-carboxamide
SMILESCn1cnnc1Sc1ccc(Sc2ccc(F)cc2)c(C(=O)Nc2nccs2)n1
InChIInChI=1S/C18H13FN6OS3/c1-25-10-21-24-18(25)29-14-7-6-13(28-12-4-2-11(19)3-5-12)15(22-14)16(26)23-17-20-8-9-27-17/h2-10H,1H3,(H,20,23,26)
InChIKeyYIYCQXYPCZMPSG-UHFFFAOYSA-N
XLogP4.36
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.54
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

3-[(4-fluorophenyl)sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)-6-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]pyridine-2-carboxamide
CID 10411846
2-[4-(Propan-2-Yl)-4h-1,2,4-Triazol-3-Yl]-N-(Pyridin-2-Yl)-1,3-Thiazole-4-Carboxamide
CID 124222752
5-methyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)thiophene-2-carboxamide
CID 4782304
N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-3-(tetrazol-1-yl)benzamide
CID 4880352
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
N-[3-[4-(2-fluorophenyl)-5-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]cyclobutyl]pyridine-2-carboxamide
CID 146282390
N-(6-fluoro-1,3-benzothiazol-2-yl)pyridine-2-carboxamide
CID 2114872

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)sulfanyl-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)pyridine-2-carboxamide?
The IUPAC name of 3-(4-fluorophenyl)sulfanyl-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)pyridine-2-carboxamide (CID 45273147) is 3-(4-fluorophenyl)sulfanyl-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)pyridine-2-carboxamide.
What is the SMILES notation for 3-(4-fluorophenyl)sulfanyl-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)pyridine-2-carboxamide?
The canonical SMILES for 3-(4-fluorophenyl)sulfanyl-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)pyridine-2-carboxamide is Cn1cnnc1Sc1ccc(Sc2ccc(F)cc2)c(C(=O)Nc2nccs2)n1.
What is the InChIKey of 3-(4-fluorophenyl)sulfanyl-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)pyridine-2-carboxamide?
The InChIKey is YIYCQXYPCZMPSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN6OS3/c1-25-10-21-24-18(25)29-14-7-6-13(28-12-4-2-11(19)3-5-12)15(22-14)16(26)23-17-20-8-9-27-17/h2-10H,1H3,(H,20,23,26).
What are the key properties of 3-(4-fluorophenyl)sulfanyl-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)pyridine-2-carboxamide?
3-(4-fluorophenyl)sulfanyl-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)pyridine-2-carboxamide has a molecular weight of 444.54 g/mol, XLogP of 4.36, 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-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)pyridine-2-carboxamide is sourced from PubChem (CID 45273147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).