4-ethyl-N-(3-methyl-4-sulfamoylphenyl)thiadiazole-5-carboxamide

C12H14N4O3S2 — CID 65209990

IUPAC4-ethyl-N-(3-methyl-4-sulfamoylphenyl)thiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)Nc1ccc(S(N)(=O)=O)c(C)c1
InChIInChI=1S/C12H14N4O3S2/c1-3-9-11(20-16-15-9)12(17)14-8-4-5-10(7(2)6-8)21(13,18)19/h4-6H,3H2,1-2H3,(H,14,17)(H2,13,18,19)
InChIKeyQTABTBHYRYGXBU-UHFFFAOYSA-N
MW326.40 g/mol
LogP1.31
Rot. Bonds4

About 4-ethyl-N-(3-methyl-4-sulfamoylphenyl)thiadiazole-5-carboxamide

4-ethyl-N-(3-methyl-4-sulfamoylphenyl)thiadiazole-5-carboxamide (PubChem CID 65209990) has the molecular formula C12H14N4O3S2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 4-ethyl-N-(3-methyl-4-sulfamoylphenyl)thiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-(3-methyl-4-sulfamoylphenyl)thiadiazole-5-carboxamide
PubChem CID65209990
Molecular FormulaC12H14N4O3S2
Molecular Weight326.40 g/mol
Exact Mass326.05
IUPAC Name4-ethyl-N-(3-methyl-4-sulfamoylphenyl)thiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)Nc1ccc(S(N)(=O)=O)c(C)c1
InChIInChI=1S/C12H14N4O3S2/c1-3-9-11(20-16-15-9)12(17)14-8-4-5-10(7(2)6-8)21(13,18)19/h4-6H,3H2,1-2H3,(H,14,17)(H2,13,18,19)
InChIKeyQTABTBHYRYGXBU-UHFFFAOYSA-N
XLogP1.31
TPSA115.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-ethyl-N-(3-sulfamoylphenyl)thiadiazole-5-carboxamide
CID 60692504
N-(3-amino-4-ethylphenyl)-4-ethylthiadiazole-5-carboxamide
CID 65205872
N-(4-amino-3-methylphenyl)-4-propylthiadiazole-5-carboxamide
CID 65206399
N-(3-amino-4-methoxyphenyl)-4-ethylthiadiazole-5-carboxamide
CID 65210172
4-ethyl-N-(3-ethylphenyl)thiadiazole-5-carboxamide
CID 9192445
N-(2-bromo-4-sulfamoylphenyl)-4-ethylthiadiazole-5-carboxamide
CID 65210041
4-ethyl-N-[3-(hydroxymethyl)phenyl]thiadiazole-5-carboxamide
CID 60693400
N-(6-amino-3-pyridinyl)-4-ethylthiadiazole-5-carboxamide
CID 65210585
N-(1,2-benzothiazol-5-yl)-4-ethylthiadiazole-5-carboxamide
CID 99825241
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-ethylthiadiazole-5-carboxamide
CID 46521837
4-ethyl-N-[4-(methylcarbamoyl)phenyl]thiadiazole-5-carboxamide
CID 30911801
N-(4-butylphenyl)-4-ethylthiadiazole-5-carboxamide
CID 24513704

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-(3-methyl-4-sulfamoylphenyl)thiadiazole-5-carboxamide?
The IUPAC name of 4-ethyl-N-(3-methyl-4-sulfamoylphenyl)thiadiazole-5-carboxamide (CID 65209990) is 4-ethyl-N-(3-methyl-4-sulfamoylphenyl)thiadiazole-5-carboxamide.
What is the SMILES notation for 4-ethyl-N-(3-methyl-4-sulfamoylphenyl)thiadiazole-5-carboxamide?
The canonical SMILES for 4-ethyl-N-(3-methyl-4-sulfamoylphenyl)thiadiazole-5-carboxamide is CCc1nnsc1C(=O)Nc1ccc(S(N)(=O)=O)c(C)c1.
What is the InChIKey of 4-ethyl-N-(3-methyl-4-sulfamoylphenyl)thiadiazole-5-carboxamide?
The InChIKey is QTABTBHYRYGXBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O3S2/c1-3-9-11(20-16-15-9)12(17)14-8-4-5-10(7(2)6-8)21(13,18)19/h4-6H,3H2,1-2H3,(H,14,17)(H2,13,18,19).
What are the key properties of 4-ethyl-N-(3-methyl-4-sulfamoylphenyl)thiadiazole-5-carboxamide?
4-ethyl-N-(3-methyl-4-sulfamoylphenyl)thiadiazole-5-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 1.31, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-(3-methyl-4-sulfamoylphenyl)thiadiazole-5-carboxamide is sourced from PubChem (CID 65209990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).