3-[4-(dimethylsulfamoyl)phenyl]sulfanyl-N-(1,3-thiazol-2-yl)-6-(1H-1,2,4-triazol-5-ylsulfanyl)pyridine-2-carboxamide

C19H17N7O3S4 — CID 23092579

IUPAC3-[4-(dimethylsulfamoyl)phenyl]sulfanyl-N-(1,3-thiazol-2-yl)-6-(1H-1,2,4-triazol-5-ylsulfanyl)pyridine-2-carboxamide
SMILESCN(C)S(=O)(=O)c1ccc(Sc2ccc(Sc3ncn[nH]3)nc2C(=O)Nc2nccs2)cc1
InChIInChI=1S/C19H17N7O3S4/c1-26(2)33(28,29)13-5-3-12(4-6-13)31-14-7-8-15(32-19-21-11-22-25-19)23-16(14)17(27)24-18-20-9-10-30-18/h3-11H,1-2H3,(H,20,24,27)(H,21,22,25)
InChIKeyDVUVMQUTGLQFAW-UHFFFAOYSA-N
MW519.66 g/mol
LogP3.46
Rot. Bonds8

About 3-[4-(dimethylsulfamoyl)phenyl]sulfanyl-N-(1,3-thiazol-2-yl)-6-(1H-1,2,4-triazol-5-ylsulfanyl)pyridine-2-carboxamide

3-[4-(dimethylsulfamoyl)phenyl]sulfanyl-N-(1,3-thiazol-2-yl)-6-(1H-1,2,4-triazol-5-ylsulfanyl)pyridine-2-carboxamide (PubChem CID 23092579) has the molecular formula C19H17N7O3S4 and a molecular weight of 519.66 g/mol. Its IUPAC name is 3-[4-(dimethylsulfamoyl)phenyl]sulfanyl-N-(1,3-thiazol-2-yl)-6-(1H-1,2,4-triazol-5-ylsulfanyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-[4-(dimethylsulfamoyl)phenyl]sulfanyl-N-(1,3-thiazol-2-yl)-6-(1H-1,2,4-triazol-5-ylsulfanyl)pyridine-2-carboxamide
PubChem CID23092579
Molecular FormulaC19H17N7O3S4
Molecular Weight519.66 g/mol
Exact Mass519.03
IUPAC Name3-[4-(dimethylsulfamoyl)phenyl]sulfanyl-N-(1,3-thiazol-2-yl)-6-(1H-1,2,4-triazol-5-ylsulfanyl)pyridine-2-carboxamide
SMILESCN(C)S(=O)(=O)c1ccc(Sc2ccc(Sc3ncn[nH]3)nc2C(=O)Nc2nccs2)cc1
InChIInChI=1S/C19H17N7O3S4/c1-26(2)33(28,29)13-5-3-12(4-6-13)31-14-7-8-15(32-19-21-11-22-25-19)23-16(14)17(27)24-18-20-9-10-30-18/h3-11H,1-2H3,(H,20,24,27)(H,21,22,25)
InChIKeyDVUVMQUTGLQFAW-UHFFFAOYSA-N
XLogP3.46
TPSA133.83 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500519.66
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Related Compounds

3-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]sulfanyl-N-(1,3-thiazol-2-yl)-6-(1H-1,2,4-triazol-5-ylsulfanyl)pyridine-2-carboxamide
CID 10414095
3-(6-methyl-1-oxidopyridin-1-ium-3-yl)sulfanyl-N-(1,3-thiazol-2-yl)-6-(1H-1,2,4-triazol-5-ylsulfanyl)pyridine-2-carboxamide
CID 23092539
3-(6-ethyl-4-methylcyclohepta-1,3,6-trien-1-yl)sulfanyl-N-(1,3-thiazol-2-yl)-6-(1H-1,2,4-triazol-5-ylsulfanyl)pyridine-2-carboxamide;methanol
CID 142939854
3-[(4-fluorophenyl)methyl]-N-(1,3-thiazol-2-yl)-6-(1H-1,2,4-triazol-5-ylsulfanyl)pyridine-2-carboxamide
CID 10364352
3-[4-(dimethylcarbamoyl)phenyl]sulfanyl-N-(1,2-oxazol-3-yl)-6-(1H-1,2,4-triazol-5-ylsulfanyl)pyridine-2-carboxamide
CID 11754337
3-(4-methoxyphenyl)sulfanyl-6-(1H-1,2,4-triazol-5-ylsulfanyl)pyridine-2-carboxylic acid
CID 23092577
3-[(6-amino-3-pyridinyl)sulfanyl]-N-pyrazin-2-yl-6-(1H-1,2,4-triazol-5-ylsulfanyl)pyridine-2-carboxamide
CID 142939879
3-(dimethylsulfamoyl)-N-(1,3-thiazol-2-yl)benzamide
CID 4030304
4-[cyclopentyl(methyl)sulfamoyl]-N-(1,3-thiazol-2-yl)benzamide
CID 7656045
1-[4-(dimethylsulfamoyl)phenyl]-5-oxo-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
CID 45495588
2-chloro-5-(dimethylsulfamoyl)-N-[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]benzamide
CID 55602065
2-benzylsulfanyl-5-(4-methylphenyl)sulfanyl-N-(1,3-thiazol-2-yl)pyrimidine-4-carboxamide
CID 26821001

Frequently Asked Questions

What is the IUPAC name of 3-[4-(dimethylsulfamoyl)phenyl]sulfanyl-N-(1,3-thiazol-2-yl)-6-(1H-1,2,4-triazol-5-ylsulfanyl)pyridine-2-carboxamide?
The IUPAC name of 3-[4-(dimethylsulfamoyl)phenyl]sulfanyl-N-(1,3-thiazol-2-yl)-6-(1H-1,2,4-triazol-5-ylsulfanyl)pyridine-2-carboxamide (CID 23092579) is 3-[4-(dimethylsulfamoyl)phenyl]sulfanyl-N-(1,3-thiazol-2-yl)-6-(1H-1,2,4-triazol-5-ylsulfanyl)pyridine-2-carboxamide.
What is the SMILES notation for 3-[4-(dimethylsulfamoyl)phenyl]sulfanyl-N-(1,3-thiazol-2-yl)-6-(1H-1,2,4-triazol-5-ylsulfanyl)pyridine-2-carboxamide?
The canonical SMILES for 3-[4-(dimethylsulfamoyl)phenyl]sulfanyl-N-(1,3-thiazol-2-yl)-6-(1H-1,2,4-triazol-5-ylsulfanyl)pyridine-2-carboxamide is CN(C)S(=O)(=O)c1ccc(Sc2ccc(Sc3ncn[nH]3)nc2C(=O)Nc2nccs2)cc1.
What is the InChIKey of 3-[4-(dimethylsulfamoyl)phenyl]sulfanyl-N-(1,3-thiazol-2-yl)-6-(1H-1,2,4-triazol-5-ylsulfanyl)pyridine-2-carboxamide?
The InChIKey is DVUVMQUTGLQFAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N7O3S4/c1-26(2)33(28,29)13-5-3-12(4-6-13)31-14-7-8-15(32-19-21-11-22-25-19)23-16(14)17(27)24-18-20-9-10-30-18/h3-11H,1-2H3,(H,20,24,27)(H,21,22,25).
What are the key properties of 3-[4-(dimethylsulfamoyl)phenyl]sulfanyl-N-(1,3-thiazol-2-yl)-6-(1H-1,2,4-triazol-5-ylsulfanyl)pyridine-2-carboxamide?
3-[4-(dimethylsulfamoyl)phenyl]sulfanyl-N-(1,3-thiazol-2-yl)-6-(1H-1,2,4-triazol-5-ylsulfanyl)pyridine-2-carboxamide has a molecular weight of 519.66 g/mol, XLogP of 3.46, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(dimethylsulfamoyl)phenyl]sulfanyl-N-(1,3-thiazol-2-yl)-6-(1H-1,2,4-triazol-5-ylsulfanyl)pyridine-2-carboxamide is sourced from PubChem (CID 23092579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).