methyl 2-[[3-(cyclopropylsulfamoyl)benzoyl]amino]-1,3-thiazole-5-carboxylate

C15H15N3O5S2 — CID 18287628

IUPACmethyl 2-[[3-(cyclopropylsulfamoyl)benzoyl]amino]-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1cnc(NC(=O)c2cccc(S(=O)(=O)NC3CC3)c2)s1
InChIInChI=1S/C15H15N3O5S2/c1-23-14(20)12-8-16-15(24-12)17-13(19)9-3-2-4-11(7-9)25(21,22)18-10-5-6-10/h2-4,7-8,10,18H,5-6H2,1H3,(H,16,17,19)
InChIKeyCJPJOHAKYJBAIH-UHFFFAOYSA-N
MW381.44 g/mol
LogP1.62
Rot. Bonds6

About methyl 2-[[3-(cyclopropylsulfamoyl)benzoyl]amino]-1,3-thiazole-5-carboxylate

methyl 2-[[3-(cyclopropylsulfamoyl)benzoyl]amino]-1,3-thiazole-5-carboxylate (PubChem CID 18287628) has the molecular formula C15H15N3O5S2 and a molecular weight of 381.44 g/mol. Its IUPAC name is methyl 2-[[3-(cyclopropylsulfamoyl)benzoyl]amino]-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[3-(cyclopropylsulfamoyl)benzoyl]amino]-1,3-thiazole-5-carboxylate
PubChem CID18287628
Molecular FormulaC15H15N3O5S2
Molecular Weight381.44 g/mol
Exact Mass381.05
IUPAC Namemethyl 2-[[3-(cyclopropylsulfamoyl)benzoyl]amino]-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1cnc(NC(=O)c2cccc(S(=O)(=O)NC3CC3)c2)s1
InChIInChI=1S/C15H15N3O5S2/c1-23-14(20)12-8-16-15(24-12)17-13(19)9-3-2-4-11(7-9)25(21,22)18-10-5-6-10/h2-4,7-8,10,18H,5-6H2,1H3,(H,16,17,19)
InChIKeyCJPJOHAKYJBAIH-UHFFFAOYSA-N
XLogP1.62
TPSA114.46 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze methyl 2-[[3-(cyclopropylsulfamoyl)benzoyl]amino]-1,3-thiazole-5-carboxylate 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

3-(cyclopropylsulfamoyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 32624601
methyl 2-[(3-fluorobenzoyl)amino]-1,3-thiazole-5-carboxylate
CID 17415241
3-(cyclopentylsulfamoyl)-N-(1,3-thiazol-2-yl)benzamide
CID 166188646
ethyl 2-[[3-(cyclopropylsulfamoyl)benzoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 18227741
3-(cyclopropylsulfamoyl)-N-pyridin-4-ylbenzamide
CID 27700197
3-(cyclopropylsulfamoyl)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)benzamide
CID 33039939
3-(cyclopropylsulfamoyl)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]benzamide
CID 46667861
3-(cyclopropylsulfamoyl)-N-(3-propan-2-ylphenyl)benzamide
CID 42236607
3-(cyclopentylsulfamoyl)-N-ethylbenzamide
CID 30830540
methyl 2-[(3,4-difluorobenzoyl)amino]-1,3-thiazole-5-carboxylate
CID 18103744
3-(cyclopropylsulfamoyl)-N-(2,5-dimethoxyphenyl)benzamide
CID 18189816
3-(cyclopropylsulfamoyl)-N-(2,3-dimethylphenyl)benzamide
CID 30856229

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[3-(cyclopropylsulfamoyl)benzoyl]amino]-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 2-[[3-(cyclopropylsulfamoyl)benzoyl]amino]-1,3-thiazole-5-carboxylate (CID 18287628) is methyl 2-[[3-(cyclopropylsulfamoyl)benzoyl]amino]-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 2-[[3-(cyclopropylsulfamoyl)benzoyl]amino]-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 2-[[3-(cyclopropylsulfamoyl)benzoyl]amino]-1,3-thiazole-5-carboxylate is COC(=O)c1cnc(NC(=O)c2cccc(S(=O)(=O)NC3CC3)c2)s1.
What is the InChIKey of methyl 2-[[3-(cyclopropylsulfamoyl)benzoyl]amino]-1,3-thiazole-5-carboxylate?
The InChIKey is CJPJOHAKYJBAIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O5S2/c1-23-14(20)12-8-16-15(24-12)17-13(19)9-3-2-4-11(7-9)25(21,22)18-10-5-6-10/h2-4,7-8,10,18H,5-6H2,1H3,(H,16,17,19).
What are the key properties of methyl 2-[[3-(cyclopropylsulfamoyl)benzoyl]amino]-1,3-thiazole-5-carboxylate?
methyl 2-[[3-(cyclopropylsulfamoyl)benzoyl]amino]-1,3-thiazole-5-carboxylate has a molecular weight of 381.44 g/mol, XLogP of 1.62, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[3-(cyclopropylsulfamoyl)benzoyl]amino]-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 18287628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).