3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-1,2,4-thiadiazole-5-carboxamide

C12H14N4O3S2 — CID 71807157

IUPAC3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-1,2,4-thiadiazole-5-carboxamide
SMILESCc1nsc(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)n1
InChIInChI=1S/C12H14N4O3S2/c1-8-15-12(20-16-8)11(17)14-7-6-9-2-4-10(5-3-9)21(13,18)19/h2-5H,6-7H2,1H3,(H,14,17)(H2,13,18,19)
InChIKeyBCOMSPIMUVPAMD-UHFFFAOYSA-N
MW326.40 g/mol
LogP0.47
Rot. Bonds5

About 3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-1,2,4-thiadiazole-5-carboxamide

3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-1,2,4-thiadiazole-5-carboxamide (PubChem CID 71807157) has the molecular formula C12H14N4O3S2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-1,2,4-thiadiazole-5-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-1,2,4-thiadiazole-5-carboxamide
PubChem CID71807157
Molecular FormulaC12H14N4O3S2
Molecular Weight326.40 g/mol
Exact Mass326.05
IUPAC Name3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-1,2,4-thiadiazole-5-carboxamide
SMILESCc1nsc(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)n1
InChIInChI=1S/C12H14N4O3S2/c1-8-15-12(20-16-8)11(17)14-7-6-9-2-4-10(5-3-9)21(13,18)19/h2-5H,6-7H2,1H3,(H,14,17)(H2,13,18,19)
InChIKeyBCOMSPIMUVPAMD-UHFFFAOYSA-N
XLogP0.47
TPSA115.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-fluorophenethyl)-3-methyl-1,2,4-thiadiazole-5-carboxamide
CID 71807178
3-methyl-N-phenethyl-1,2,4-thiadiazole-5-carboxamide
CID 71807156
3-methyl-N-(3-phenylpropyl)-1,2,4-thiadiazole-5-carboxamide
CID 71807159
N,N-dimethyl-4-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]ethyl]benzenesulfonamide
CID 84598312
5-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-1,2,4-oxadiazole-3-carboxamide
CID 21522741
N-[1-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethyl]-5-methyl-1,2,4-oxadiazole-3-carboxamide
CID 21522742
p-[beta-(5-Ethyl-1,2,4-oxadiazole-3-carbonylamino)ethyl]-benzenesulfonamide
CID 21522746
p-(beta-(3-Methyl-1,2,4-oxadiazole-5-carbonylamino)ethyl]-benzenesulfonamide
CID 21522749
N,N-diethyl-2-[5-[(4-propylphenyl)sulfonylamino]-1,2,4-thiadiazol-3-yl]acetamide
CID 22027935
N-[3-(2-oxo-2-piperidin-1-ylethyl)-1,2,4-thiadiazol-5-yl]-4-propylbenzenesulfonamide
CID 22028015
N-ethyl-N-methyl-2-[5-[(4-propylphenyl)sulfonylamino]-1,2,4-thiadiazol-3-yl]acetamide
CID 22028039
2-[(3-benzyl-1,2,4-thiadiazol-5-yl)-methylamino]-N-hexylacetamide
CID 3886600

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-1,2,4-thiadiazole-5-carboxamide?
The IUPAC name of 3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-1,2,4-thiadiazole-5-carboxamide (CID 71807157) is 3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-1,2,4-thiadiazole-5-carboxamide.
What is the SMILES notation for 3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-1,2,4-thiadiazole-5-carboxamide?
The canonical SMILES for 3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-1,2,4-thiadiazole-5-carboxamide is Cc1nsc(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)n1.
What is the InChIKey of 3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-1,2,4-thiadiazole-5-carboxamide?
The InChIKey is BCOMSPIMUVPAMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O3S2/c1-8-15-12(20-16-8)11(17)14-7-6-9-2-4-10(5-3-9)21(13,18)19/h2-5H,6-7H2,1H3,(H,14,17)(H2,13,18,19).
What are the key properties of 3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-1,2,4-thiadiazole-5-carboxamide?
3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-1,2,4-thiadiazole-5-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 0.47, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-1,2,4-thiadiazole-5-carboxamide is sourced from PubChem (CID 71807157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).