2-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]iminomethyl]benzoate

C17H12N3O4S2- — CID 5060501

IUPAC2-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]iminomethyl]benzoate
SMILESO=C([O-])c1ccccc1/C=N/c1ccc(S(=O)(=O)Nc2nccs2)cc1
InChIInChI=1S/C17H13N3O4S2/c21-16(22)15-4-2-1-3-12(15)11-19-13-5-7-14(8-6-13)26(23,24)20-17-18-9-10-25-17/h1-11H,(H,18,20)(H,21,22)/p-1/b19-11+
InChIKeyDZLDONGXMDSODI-YBFXNURJSA-M
MW386.43 g/mol
LogP2.06
Rot. Bonds6

About 2-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]iminomethyl]benzoate

2-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]iminomethyl]benzoate (PubChem CID 5060501) has the molecular formula C17H12N3O4S2- and a molecular weight of 386.43 g/mol. Its IUPAC name is 2-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]iminomethyl]benzoate.

Molecular Properties

Compound Name2-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]iminomethyl]benzoate
PubChem CID5060501
Molecular FormulaC17H12N3O4S2-
Molecular Weight386.43 g/mol
Exact Mass386.03
IUPAC Name2-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]iminomethyl]benzoate
SMILESO=C([O-])c1ccccc1/C=N/c1ccc(S(=O)(=O)Nc2nccs2)cc1
InChIInChI=1S/C17H13N3O4S2/c21-16(22)15-4-2-1-3-12(15)11-19-13-5-7-14(8-6-13)26(23,24)20-17-18-9-10-25-17/h1-11H,(H,18,20)(H,21,22)/p-1/b19-11+
InChIKeyDZLDONGXMDSODI-YBFXNURJSA-M
XLogP2.06
TPSA111.55 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.43
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 2-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]iminomethyl]benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Phthalylsulfathiazole
CID 4806
Phthalylsulfathiazole, sodium salt
CID 23693349
[(4-Aminophenyl)sulfonyl-(1,3-thiazol-5-yl)amino]methyl benzoate
CID 56680451
1-oxo-N-{4-[(1,3-thiazol-2-ylamino)sulfonyl]phenyl}-1H-isochromene-3-carboxamide
CID 4013727
2-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide
CID 1027541
4-[(3-oxo-1,3-dihydro-2-benzofuran-1-yl)amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 5132461
4-({2-[(1,3-Thiazol-2-ylamino)sulfonyl]anilino}carbonyl)benzoic acid
CID 3118205
methyl 4-((4-(N-(thiazol-2-yl)sulfamoyl)phenyl)carbamoyl)benzoate
CID 1566229
2-Carbomethoxysulfanilamidothiazole
CID 104355293
(Thiazolylsulfamoyl)-phthalanilic
CID 129636850
4-Nitrobenzoic acid-sulfathiazole (1/1)
CID 139086395
2-Fluoro-5-[[4-(1,3-thiazol-2-yl)phenyl]sulfamoyl]benzoate
CID 8192721

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]iminomethyl]benzoate?
The IUPAC name of 2-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]iminomethyl]benzoate (CID 5060501) is 2-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]iminomethyl]benzoate.
What is the SMILES notation for 2-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]iminomethyl]benzoate?
The canonical SMILES for 2-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]iminomethyl]benzoate is O=C([O-])c1ccccc1/C=N/c1ccc(S(=O)(=O)Nc2nccs2)cc1.
What is the InChIKey of 2-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]iminomethyl]benzoate?
The InChIKey is DZLDONGXMDSODI-YBFXNURJSA-M. The full InChI is InChI=1S/C17H13N3O4S2/c21-16(22)15-4-2-1-3-12(15)11-19-13-5-7-14(8-6-13)26(23,24)20-17-18-9-10-25-17/h1-11H,(H,18,20)(H,21,22)/p-1/b19-11+.
What are the key properties of 2-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]iminomethyl]benzoate?
2-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]iminomethyl]benzoate has a molecular weight of 386.43 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]iminomethyl]benzoate is sourced from PubChem (CID 5060501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).