4-propan-2-yl-N-[(5-sulfamoylthiophen-2-yl)methyl]thiadiazole-5-carboxamide

C11H14N4O3S3 — CID 65204670

IUPAC4-propan-2-yl-N-[(5-sulfamoylthiophen-2-yl)methyl]thiadiazole-5-carboxamide
SMILESCC(C)c1nnsc1C(=O)NCc1ccc(S(N)(=O)=O)s1
InChIInChI=1S/C11H14N4O3S3/c1-6(2)9-10(20-15-14-9)11(16)13-5-7-3-4-8(19-7)21(12,17)18/h3-4,6H,5H2,1-2H3,(H,13,16)(H2,12,17,18)
InChIKeyCBSBGYFHPBUVID-UHFFFAOYSA-N
MW346.46 g/mol
LogP1.30
Rot. Bonds5

About 4-propan-2-yl-N-[(5-sulfamoylthiophen-2-yl)methyl]thiadiazole-5-carboxamide

4-propan-2-yl-N-[(5-sulfamoylthiophen-2-yl)methyl]thiadiazole-5-carboxamide (PubChem CID 65204670) has the molecular formula C11H14N4O3S3 and a molecular weight of 346.46 g/mol. Its IUPAC name is 4-propan-2-yl-N-[(5-sulfamoylthiophen-2-yl)methyl]thiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-propan-2-yl-N-[(5-sulfamoylthiophen-2-yl)methyl]thiadiazole-5-carboxamide
PubChem CID65204670
Molecular FormulaC11H14N4O3S3
Molecular Weight346.46 g/mol
Exact Mass346.02
IUPAC Name4-propan-2-yl-N-[(5-sulfamoylthiophen-2-yl)methyl]thiadiazole-5-carboxamide
SMILESCC(C)c1nnsc1C(=O)NCc1ccc(S(N)(=O)=O)s1
InChIInChI=1S/C11H14N4O3S3/c1-6(2)9-10(20-15-14-9)11(16)13-5-7-3-4-8(19-7)21(12,17)18/h3-4,6H,5H2,1-2H3,(H,13,16)(H2,12,17,18)
InChIKeyCBSBGYFHPBUVID-UHFFFAOYSA-N
XLogP1.30
TPSA115.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-[[(4-propan-2-ylthiadiazole-5-carbonyl)amino]methyl]thiophene-2-sulfonyl chloride
CID 65204805
2,4-dimethyl-N-[(5-sulfamoylthiophen-2-yl)methyl]-1,3-thiazole-5-carboxamide
CID 47099010
(2S)-2-amino-3-methyl-N-[(5-sulfamoylthiophen-2-yl)methyl]butanamide;hydrochloride
CID 119270466
2-methyl-N-[(5-sulfamoylthiophen-2-yl)methyl]-1,3-thiazole-4-carboxamide
CID 47445414
2-methyl-4-phenyl-N-[(5-sulfamoylthiophen-2-yl)methyl]-1,3-thiazole-5-carboxamide
CID 24645771
3-bromo-N-[(5-sulfamoylthiophen-2-yl)methyl]thiophene-2-carboxamide
CID 47246546
3-pyrrol-1-yl-N-[(5-sulfamoylthiophen-2-yl)methyl]thiophene-2-carboxamide
CID 24658577
3-chloro-N-[(5-sulfamoylthiophen-2-yl)methyl]thiophene-2-carboxamide
CID 80642639
3-methyl-N-[(5-sulfamoylthiophen-2-yl)methyl]pyridine-2-carboxamide
CID 62339651
4,5-dimethyl-N-[(5-sulfamoylthiophen-2-yl)methyl]thiophene-2-carboxamide
CID 47004961
2-cyclopropyl-N-[(5-sulfamoylthiophen-2-yl)methyl]propanamide
CID 79506363
2,6-dichloro-N-[(5-sulfamoylthiophen-2-yl)methyl]benzamide
CID 43242454

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-N-[(5-sulfamoylthiophen-2-yl)methyl]thiadiazole-5-carboxamide?
The IUPAC name of 4-propan-2-yl-N-[(5-sulfamoylthiophen-2-yl)methyl]thiadiazole-5-carboxamide (CID 65204670) is 4-propan-2-yl-N-[(5-sulfamoylthiophen-2-yl)methyl]thiadiazole-5-carboxamide.
What is the SMILES notation for 4-propan-2-yl-N-[(5-sulfamoylthiophen-2-yl)methyl]thiadiazole-5-carboxamide?
The canonical SMILES for 4-propan-2-yl-N-[(5-sulfamoylthiophen-2-yl)methyl]thiadiazole-5-carboxamide is CC(C)c1nnsc1C(=O)NCc1ccc(S(N)(=O)=O)s1.
What is the InChIKey of 4-propan-2-yl-N-[(5-sulfamoylthiophen-2-yl)methyl]thiadiazole-5-carboxamide?
The InChIKey is CBSBGYFHPBUVID-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O3S3/c1-6(2)9-10(20-15-14-9)11(16)13-5-7-3-4-8(19-7)21(12,17)18/h3-4,6H,5H2,1-2H3,(H,13,16)(H2,12,17,18).
What are the key properties of 4-propan-2-yl-N-[(5-sulfamoylthiophen-2-yl)methyl]thiadiazole-5-carboxamide?
4-propan-2-yl-N-[(5-sulfamoylthiophen-2-yl)methyl]thiadiazole-5-carboxamide has a molecular weight of 346.46 g/mol, XLogP of 1.30, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-N-[(5-sulfamoylthiophen-2-yl)methyl]thiadiazole-5-carboxamide is sourced from PubChem (CID 65204670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).