4-methyl-2-phenyl-N-(4-sulfamoylphenyl)-1,3-thiazole-5-carboxamide

C17H15N3O3S2 — CID 2814179

IUPAC4-methyl-2-phenyl-N-(4-sulfamoylphenyl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccccc2)sc1C(=O)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C17H15N3O3S2/c1-11-15(24-17(19-11)12-5-3-2-4-6-12)16(21)20-13-7-9-14(10-8-13)25(18,22)23/h2-10H,1H3,(H,20,21)(H2,18,22,23)
InChIKeyKPWDBHMNPVRBIR-UHFFFAOYSA-N
MW373.46 g/mol
LogP3.02
Rot. Bonds4

About 4-methyl-2-phenyl-N-(4-sulfamoylphenyl)-1,3-thiazole-5-carboxamide

4-methyl-2-phenyl-N-(4-sulfamoylphenyl)-1,3-thiazole-5-carboxamide (PubChem CID 2814179) has the molecular formula C17H15N3O3S2 and a molecular weight of 373.46 g/mol. Its IUPAC name is 4-methyl-2-phenyl-N-(4-sulfamoylphenyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-2-phenyl-N-(4-sulfamoylphenyl)-1,3-thiazole-5-carboxamide
PubChem CID2814179
Molecular FormulaC17H15N3O3S2
Molecular Weight373.46 g/mol
Exact Mass373.06
IUPAC Name4-methyl-2-phenyl-N-(4-sulfamoylphenyl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccccc2)sc1C(=O)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C17H15N3O3S2/c1-11-15(24-17(19-11)12-5-3-2-4-6-12)16(21)20-13-7-9-14(10-8-13)25(18,22)23/h2-10H,1H3,(H,20,21)(H2,18,22,23)
InChIKeyKPWDBHMNPVRBIR-UHFFFAOYSA-N
XLogP3.02
TPSA102.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-phenyl-N-(4-sulfamoylphenyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-2-phenyl-N-(4-sulfamoylphenyl)-1,3-thiazole-5-carboxamide (CID 2814179) is 4-methyl-2-phenyl-N-(4-sulfamoylphenyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-2-phenyl-N-(4-sulfamoylphenyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-2-phenyl-N-(4-sulfamoylphenyl)-1,3-thiazole-5-carboxamide is Cc1nc(-c2ccccc2)sc1C(=O)Nc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 4-methyl-2-phenyl-N-(4-sulfamoylphenyl)-1,3-thiazole-5-carboxamide?
The InChIKey is KPWDBHMNPVRBIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3S2/c1-11-15(24-17(19-11)12-5-3-2-4-6-12)16(21)20-13-7-9-14(10-8-13)25(18,22)23/h2-10H,1H3,(H,20,21)(H2,18,22,23).
What are the key properties of 4-methyl-2-phenyl-N-(4-sulfamoylphenyl)-1,3-thiazole-5-carboxamide?
4-methyl-2-phenyl-N-(4-sulfamoylphenyl)-1,3-thiazole-5-carboxamide has a molecular weight of 373.46 g/mol, XLogP of 3.02, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-phenyl-N-(4-sulfamoylphenyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 2814179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).