N,4-dimethyl-N-(4-sulfamoylphenyl)-1,3-thiazole-5-carboxamide

C12H13N3O3S2 — CID 61129613

IUPACN,4-dimethyl-N-(4-sulfamoylphenyl)-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)N(C)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C12H13N3O3S2/c1-8-11(19-7-14-8)12(16)15(2)9-3-5-10(6-4-9)20(13,17)18/h3-7H,1-2H3,(H2,13,17,18)
InChIKeySPYUMMBUBJIQSM-UHFFFAOYSA-N
MW311.39 g/mol
LogP1.38
Rot. Bonds3

About N,4-dimethyl-N-(4-sulfamoylphenyl)-1,3-thiazole-5-carboxamide

N,4-dimethyl-N-(4-sulfamoylphenyl)-1,3-thiazole-5-carboxamide (PubChem CID 61129613) has the molecular formula C12H13N3O3S2 and a molecular weight of 311.39 g/mol. Its IUPAC name is N,4-dimethyl-N-(4-sulfamoylphenyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN,4-dimethyl-N-(4-sulfamoylphenyl)-1,3-thiazole-5-carboxamide
PubChem CID61129613
Molecular FormulaC12H13N3O3S2
Molecular Weight311.39 g/mol
Exact Mass311.04
IUPAC NameN,4-dimethyl-N-(4-sulfamoylphenyl)-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)N(C)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C12H13N3O3S2/c1-8-11(19-7-14-8)12(16)15(2)9-3-5-10(6-4-9)20(13,17)18/h3-7H,1-2H3,(H2,13,17,18)
InChIKeySPYUMMBUBJIQSM-UHFFFAOYSA-N
XLogP1.38
TPSA93.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-N-(4-sulfamoylphenyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N,4-dimethyl-N-(4-sulfamoylphenyl)-1,3-thiazole-5-carboxamide (CID 61129613) is N,4-dimethyl-N-(4-sulfamoylphenyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N,4-dimethyl-N-(4-sulfamoylphenyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N,4-dimethyl-N-(4-sulfamoylphenyl)-1,3-thiazole-5-carboxamide is Cc1ncsc1C(=O)N(C)c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of N,4-dimethyl-N-(4-sulfamoylphenyl)-1,3-thiazole-5-carboxamide?
The InChIKey is SPYUMMBUBJIQSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3S2/c1-8-11(19-7-14-8)12(16)15(2)9-3-5-10(6-4-9)20(13,17)18/h3-7H,1-2H3,(H2,13,17,18).
What are the key properties of N,4-dimethyl-N-(4-sulfamoylphenyl)-1,3-thiazole-5-carboxamide?
N,4-dimethyl-N-(4-sulfamoylphenyl)-1,3-thiazole-5-carboxamide has a molecular weight of 311.39 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-N-(4-sulfamoylphenyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 61129613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).