2-methylsulfanyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyridine-3-carboxamide

C16H14N4O3S3 — CID 2161638

IUPAC2-methylsulfanyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyridine-3-carboxamide
SMILESCSc1ncccc1C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1
InChIInChI=1S/C16H14N4O3S3/c1-24-15-13(3-2-8-17-15)14(21)19-11-4-6-12(7-5-11)26(22,23)20-16-18-9-10-25-16/h2-10H,1H3,(H,18,20)(H,19,21)
InChIKeyXKUGKMJOLRUTFI-UHFFFAOYSA-N
MW406.51 g/mol
LogP3.31
Rot. Bonds6

About 2-methylsulfanyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyridine-3-carboxamide

2-methylsulfanyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyridine-3-carboxamide (PubChem CID 2161638) has the molecular formula C16H14N4O3S3 and a molecular weight of 406.51 g/mol. Its IUPAC name is 2-methylsulfanyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-methylsulfanyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyridine-3-carboxamide
PubChem CID2161638
Molecular FormulaC16H14N4O3S3
Molecular Weight406.51 g/mol
Exact Mass406.02
IUPAC Name2-methylsulfanyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyridine-3-carboxamide
SMILESCSc1ncccc1C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1
InChIInChI=1S/C16H14N4O3S3/c1-24-15-13(3-2-8-17-15)14(21)19-11-4-6-12(7-5-11)26(22,23)20-16-18-9-10-25-16/h2-10H,1H3,(H,18,20)(H,19,21)
InChIKeyXKUGKMJOLRUTFI-UHFFFAOYSA-N
XLogP3.31
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.51
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyridine-3-carboxamide?
The IUPAC name of 2-methylsulfanyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyridine-3-carboxamide (CID 2161638) is 2-methylsulfanyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-methylsulfanyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 2-methylsulfanyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyridine-3-carboxamide is CSc1ncccc1C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1.
What is the InChIKey of 2-methylsulfanyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyridine-3-carboxamide?
The InChIKey is XKUGKMJOLRUTFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O3S3/c1-24-15-13(3-2-8-17-15)14(21)19-11-4-6-12(7-5-11)26(22,23)20-16-18-9-10-25-16/h2-10H,1H3,(H,18,20)(H,19,21).
What are the key properties of 2-methylsulfanyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyridine-3-carboxamide?
2-methylsulfanyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyridine-3-carboxamide has a molecular weight of 406.51 g/mol, XLogP of 3.31, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 2161638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).