1-methyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]imidazole-4-sulfonamide

C12H12N4O2S3 — CID 2738764

IUPAC1-methyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]imidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)NCc2csc(-c3cccs3)n2)c1
InChIInChI=1S/C12H12N4O2S3/c1-16-6-11(13-8-16)21(17,18)14-5-9-7-20-12(15-9)10-3-2-4-19-10/h2-4,6-8,14H,5H2,1H3
InChIKeyVITDKLAJMXFESM-UHFFFAOYSA-N
MW340.46 g/mol
LogP2.08
Rot. Bonds5

About 1-methyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]imidazole-4-sulfonamide

1-methyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]imidazole-4-sulfonamide (PubChem CID 2738764) has the molecular formula C12H12N4O2S3 and a molecular weight of 340.46 g/mol. Its IUPAC name is 1-methyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]imidazole-4-sulfonamide.

Molecular Properties

Compound Name1-methyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]imidazole-4-sulfonamide
PubChem CID2738764
Molecular FormulaC12H12N4O2S3
Molecular Weight340.46 g/mol
Exact Mass340.01
IUPAC Name1-methyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]imidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)NCc2csc(-c3cccs3)n2)c1
InChIInChI=1S/C12H12N4O2S3/c1-16-6-11(13-8-16)21(17,18)14-5-9-7-20-12(15-9)10-3-2-4-19-10/h2-4,6-8,14H,5H2,1H3
InChIKeyVITDKLAJMXFESM-UHFFFAOYSA-N
XLogP2.08
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.46
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]imidazole-4-sulfonamide?
The IUPAC name of 1-methyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]imidazole-4-sulfonamide (CID 2738764) is 1-methyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]imidazole-4-sulfonamide.
What is the SMILES notation for 1-methyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]imidazole-4-sulfonamide?
The canonical SMILES for 1-methyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]imidazole-4-sulfonamide is Cn1cnc(S(=O)(=O)NCc2csc(-c3cccs3)n2)c1.
What is the InChIKey of 1-methyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]imidazole-4-sulfonamide?
The InChIKey is VITDKLAJMXFESM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O2S3/c1-16-6-11(13-8-16)21(17,18)14-5-9-7-20-12(15-9)10-3-2-4-19-10/h2-4,6-8,14H,5H2,1H3.
What are the key properties of 1-methyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]imidazole-4-sulfonamide?
1-methyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]imidazole-4-sulfonamide has a molecular weight of 340.46 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]imidazole-4-sulfonamide is sourced from PubChem (CID 2738764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).