2-[(4-chlorophenoxy)methyl]-N-(2-sulfamoylethyl)-1,3-thiazole-4-carboxamide

C13H14ClN3O4S2 — CID 127054051

IUPAC2-[(4-chlorophenoxy)methyl]-N-(2-sulfamoylethyl)-1,3-thiazole-4-carboxamide
SMILESNS(=O)(=O)CCNC(=O)c1csc(COc2ccc(Cl)cc2)n1
InChIInChI=1S/C13H14ClN3O4S2/c14-9-1-3-10(4-2-9)21-7-12-17-11(8-22-12)13(18)16-5-6-23(15,19)20/h1-4,8H,5-7H2,(H,16,18)(H2,15,19,20)
InChIKeyHRPBQFYVNIBGMI-UHFFFAOYSA-N
MW375.86 g/mol
LogP1.39
Rot. Bonds7

About 2-[(4-chlorophenoxy)methyl]-N-(2-sulfamoylethyl)-1,3-thiazole-4-carboxamide

2-[(4-chlorophenoxy)methyl]-N-(2-sulfamoylethyl)-1,3-thiazole-4-carboxamide (PubChem CID 127054051) has the molecular formula C13H14ClN3O4S2 and a molecular weight of 375.86 g/mol. Its IUPAC name is 2-[(4-chlorophenoxy)methyl]-N-(2-sulfamoylethyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[(4-chlorophenoxy)methyl]-N-(2-sulfamoylethyl)-1,3-thiazole-4-carboxamide
PubChem CID127054051
Molecular FormulaC13H14ClN3O4S2
Molecular Weight375.86 g/mol
Exact Mass375.01
IUPAC Name2-[(4-chlorophenoxy)methyl]-N-(2-sulfamoylethyl)-1,3-thiazole-4-carboxamide
SMILESNS(=O)(=O)CCNC(=O)c1csc(COc2ccc(Cl)cc2)n1
InChIInChI=1S/C13H14ClN3O4S2/c14-9-1-3-10(4-2-9)21-7-12-17-11(8-22-12)13(18)16-5-6-23(15,19)20/h1-4,8H,5-7H2,(H,16,18)(H2,15,19,20)
InChIKeyHRPBQFYVNIBGMI-UHFFFAOYSA-N
XLogP1.39
TPSA111.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.86
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[(4-chlorophenoxy)methyl]-N-(2-sulfamoylethyl)-1,3-thiazole-4-carboxamide 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

2-((4-Chlorophenoxy)methyl)-N-(cyanomethyl)thiazole-4-carboxamide (4b)
CID 127054050
N-(1,1-dioxo-1lambda6-thiolan-3-yl)-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide
CID 17441991
N-[(3s)-1,1-Dioxidotetrahydrothiophen-3-Yl]-2-[(4-Methylphenoxy)methyl]-1,3-Thiazole-4-Carboxamide
CID 40803889
1-[[2-[(4-Chlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-3-(trifluoromethyl)pyridin-2-one
CID 25646232
2-[(4-chlorophenoxy)methyl]-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 25674360
N-ethyl-2-[(4-fluorophenoxy)methyl]-1,3-thiazole-4-carboxamide
CID 24712465
N-cyclopropyl-2-[(2,4-difluorophenoxy)methyl]-1,3-thiazole-4-carboxamide
CID 24712620
N-ethyl-2-[(2-fluorophenoxy)methyl]-1,3-thiazole-4-carboxamide
CID 24712651
2-[(2,4-difluorophenoxy)methyl]-N-ethyl-1,3-thiazole-4-carboxamide
CID 24712791
2-[(3-fluorophenoxy)methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 24712823
2-[(4-fluorophenoxy)methyl]-N-(propan-2-yl)-1,3-thiazole-4-carboxamide
CID 24712831
N-ethyl-2-[(3-fluorophenoxy)methyl]-1,3-thiazole-4-carboxamide
CID 24713032

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenoxy)methyl]-N-(2-sulfamoylethyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[(4-chlorophenoxy)methyl]-N-(2-sulfamoylethyl)-1,3-thiazole-4-carboxamide (CID 127054051) is 2-[(4-chlorophenoxy)methyl]-N-(2-sulfamoylethyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[(4-chlorophenoxy)methyl]-N-(2-sulfamoylethyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[(4-chlorophenoxy)methyl]-N-(2-sulfamoylethyl)-1,3-thiazole-4-carboxamide is NS(=O)(=O)CCNC(=O)c1csc(COc2ccc(Cl)cc2)n1.
What is the InChIKey of 2-[(4-chlorophenoxy)methyl]-N-(2-sulfamoylethyl)-1,3-thiazole-4-carboxamide?
The InChIKey is HRPBQFYVNIBGMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O4S2/c14-9-1-3-10(4-2-9)21-7-12-17-11(8-22-12)13(18)16-5-6-23(15,19)20/h1-4,8H,5-7H2,(H,16,18)(H2,15,19,20).
What are the key properties of 2-[(4-chlorophenoxy)methyl]-N-(2-sulfamoylethyl)-1,3-thiazole-4-carboxamide?
2-[(4-chlorophenoxy)methyl]-N-(2-sulfamoylethyl)-1,3-thiazole-4-carboxamide has a molecular weight of 375.86 g/mol, XLogP of 1.39, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenoxy)methyl]-N-(2-sulfamoylethyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 127054051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).