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

C19H16N6OS3 — CID 10478428

IUPAC6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-(phenylsulfanylmethyl)-N-(1,3-thiazol-2-yl)pyridine-2-carboxamide
SMILESCn1cnnc1Sc1ccc(CSc2ccccc2)c(C(=O)Nc2nccs2)n1
InChIInChI=1S/C19H16N6OS3/c1-25-12-21-24-19(25)29-15-8-7-13(11-28-14-5-3-2-4-6-14)16(22-15)17(26)23-18-20-9-10-27-18/h2-10,12H,11H2,1H3,(H,20,23,26)
InChIKeyVFFOQGGEYZEEDB-UHFFFAOYSA-N
MW440.58 g/mol
LogP4.36
Rot. Bonds7

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

6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-(phenylsulfanylmethyl)-N-(1,3-thiazol-2-yl)pyridine-2-carboxamide (PubChem CID 10478428) has the molecular formula C19H16N6OS3 and a molecular weight of 440.58 g/mol. Its IUPAC name is 6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-(phenylsulfanylmethyl)-N-(1,3-thiazol-2-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-(phenylsulfanylmethyl)-N-(1,3-thiazol-2-yl)pyridine-2-carboxamide
PubChem CID10478428
Molecular FormulaC19H16N6OS3
Molecular Weight440.58 g/mol
Exact Mass440.05
IUPAC Name6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-(phenylsulfanylmethyl)-N-(1,3-thiazol-2-yl)pyridine-2-carboxamide
SMILESCn1cnnc1Sc1ccc(CSc2ccccc2)c(C(=O)Nc2nccs2)n1
InChIInChI=1S/C19H16N6OS3/c1-25-12-21-24-19(25)29-15-8-7-13(11-28-14-5-3-2-4-6-14)16(22-15)17(26)23-18-20-9-10-27-18/h2-10,12H,11H2,1H3,(H,20,23,26)
InChIKeyVFFOQGGEYZEEDB-UHFFFAOYSA-N
XLogP4.36
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.58
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
CID 4033040
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CID 26820996
2-benzylsulfanyl-5-(4-methylphenyl)sulfanyl-N-(1,3-thiazol-2-yl)pyrimidine-4-carboxamide
CID 26821001
3-[(4-fluorophenyl)methyl]-N-(1,3-thiazol-2-yl)-6-(1H-1,2,4-triazol-5-ylsulfanyl)pyridine-2-carboxamide
CID 10364352
4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-(1,3-thiazol-2-yl)benzamide
CID 31758464
1-phenyl-5-propyl-N-(1,3-thiazol-2-yl)triazole-4-carboxamide
CID 17015603
N-(1,3-thiazol-2-yl)benzamide;hydrochloride
CID 141066064
ethyl 2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]acetate;ethyl 2-[[2-[[3-(4-methoxyphenyl)sulfanyl-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridine-2-carbonyl]amino]-1,3-thiazol-5-yl]sulfanyl]acetate;3-(4-methoxyphenyl)sulfanyl-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridine-2-carboxylic acid
CID 157366502
3-butyl-4-oxo-N-(1,3-thiazol-2-yl)phthalazine-1-carboxamide
CID 2679207
N-[(1R)-1-[4-methyl-5-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-1,2,4-triazol-3-yl]ethyl]benzamide
CID 95731057
2-[4-(2-phenylsulfanylethyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)propanamide
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2-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-(1,3-thiazol-2-yl)benzamide
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Frequently Asked Questions

What is the IUPAC name of 6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-(phenylsulfanylmethyl)-N-(1,3-thiazol-2-yl)pyridine-2-carboxamide?
The IUPAC name of 6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-(phenylsulfanylmethyl)-N-(1,3-thiazol-2-yl)pyridine-2-carboxamide (CID 10478428) is 6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-(phenylsulfanylmethyl)-N-(1,3-thiazol-2-yl)pyridine-2-carboxamide.
What is the SMILES notation for 6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-(phenylsulfanylmethyl)-N-(1,3-thiazol-2-yl)pyridine-2-carboxamide?
The canonical SMILES for 6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-(phenylsulfanylmethyl)-N-(1,3-thiazol-2-yl)pyridine-2-carboxamide is Cn1cnnc1Sc1ccc(CSc2ccccc2)c(C(=O)Nc2nccs2)n1.
What is the InChIKey of 6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-(phenylsulfanylmethyl)-N-(1,3-thiazol-2-yl)pyridine-2-carboxamide?
The InChIKey is VFFOQGGEYZEEDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N6OS3/c1-25-12-21-24-19(25)29-15-8-7-13(11-28-14-5-3-2-4-6-14)16(22-15)17(26)23-18-20-9-10-27-18/h2-10,12H,11H2,1H3,(H,20,23,26).
What are the key properties of 6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-(phenylsulfanylmethyl)-N-(1,3-thiazol-2-yl)pyridine-2-carboxamide?
6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-(phenylsulfanylmethyl)-N-(1,3-thiazol-2-yl)pyridine-2-carboxamide has a molecular weight of 440.58 g/mol, XLogP of 4.36, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-(phenylsulfanylmethyl)-N-(1,3-thiazol-2-yl)pyridine-2-carboxamide is sourced from PubChem (CID 10478428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).