2-methyl-N-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]carbamothioyl]pyrazole-3-carboxamide

C15H14N6O3S3 — CID 25048191

IUPAC2-methyl-N-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]carbamothioyl]pyrazole-3-carboxamide
SMILESCn1nccc1C(=O)NC(=S)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1
InChIInChI=1S/C15H14N6O3S3/c1-21-12(6-7-17-21)13(22)19-14(25)18-10-2-4-11(5-3-10)27(23,24)20-15-16-8-9-26-15/h2-9H,1H3,(H,16,20)(H2,18,19,22,25)
InChIKeyKYMAUJUNIVQZST-UHFFFAOYSA-N
MW422.52 g/mol
LogP1.80
Rot. Bonds5

About 2-methyl-N-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]carbamothioyl]pyrazole-3-carboxamide

2-methyl-N-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]carbamothioyl]pyrazole-3-carboxamide (PubChem CID 25048191) has the molecular formula C15H14N6O3S3 and a molecular weight of 422.52 g/mol. Its IUPAC name is 2-methyl-N-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]carbamothioyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]carbamothioyl]pyrazole-3-carboxamide
PubChem CID25048191
Molecular FormulaC15H14N6O3S3
Molecular Weight422.52 g/mol
Exact Mass422.03
IUPAC Name2-methyl-N-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]carbamothioyl]pyrazole-3-carboxamide
SMILESCn1nccc1C(=O)NC(=S)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1
InChIInChI=1S/C15H14N6O3S3/c1-21-12(6-7-17-21)13(22)19-14(25)18-10-2-4-11(5-3-10)27(23,24)20-15-16-8-9-26-15/h2-9H,1H3,(H,16,20)(H2,18,19,22,25)
InChIKeyKYMAUJUNIVQZST-UHFFFAOYSA-N
XLogP1.80
TPSA118.01 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.52
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

3,4,5-triethoxy-N-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]carbamothioyl]benzamide
CID 4642089
4-(3-methylbutoxy)-N-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]carbamothioyl]benzamide
CID 4949071
2-ethyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrazole-3-carboxamide
CID 19475273
3-bromo-4-methyl-N-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]carbamothioyl]benzamide
CID 3376197
3-iodo-4-methyl-N-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]carbamothioyl]benzamide
CID 5229800
3-ethoxy-N-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]carbamothioyl]benzamide
CID 4957664
4-bromo-1-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrazole-5-carboxamide
CID 19474994
2-(4-methoxyphenoxy)-N-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]carbamothioyl]acetamide
CID 5171518
1-(4-ethoxyphenyl)-3-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]thiourea
CID 25043569
(E)-3-(5-methylfuran-2-yl)-N-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]carbamothioyl]prop-2-enamide
CID 6171535
2-hexoxy-N-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]carbamothioyl]benzamide
CID 4942599
3,5-dimethyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-1,2-oxazole-4-carboxamide
CID 2225489

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]carbamothioyl]pyrazole-3-carboxamide?
The IUPAC name of 2-methyl-N-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]carbamothioyl]pyrazole-3-carboxamide (CID 25048191) is 2-methyl-N-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]carbamothioyl]pyrazole-3-carboxamide.
What is the SMILES notation for 2-methyl-N-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]carbamothioyl]pyrazole-3-carboxamide?
The canonical SMILES for 2-methyl-N-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]carbamothioyl]pyrazole-3-carboxamide is Cn1nccc1C(=O)NC(=S)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1.
What is the InChIKey of 2-methyl-N-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]carbamothioyl]pyrazole-3-carboxamide?
The InChIKey is KYMAUJUNIVQZST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N6O3S3/c1-21-12(6-7-17-21)13(22)19-14(25)18-10-2-4-11(5-3-10)27(23,24)20-15-16-8-9-26-15/h2-9H,1H3,(H,16,20)(H2,18,19,22,25).
What are the key properties of 2-methyl-N-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]carbamothioyl]pyrazole-3-carboxamide?
2-methyl-N-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]carbamothioyl]pyrazole-3-carboxamide has a molecular weight of 422.52 g/mol, XLogP of 1.80, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]carbamothioyl]pyrazole-3-carboxamide is sourced from PubChem (CID 25048191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).