methyl 2-[(2-chloro-5-methylsulfanylbenzoyl)amino]-1,3-thiazole-5-carboxylate

C13H11ClN2O3S2 — CID 18103591

IUPACmethyl 2-[(2-chloro-5-methylsulfanylbenzoyl)amino]-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1cnc(NC(=O)c2cc(SC)ccc2Cl)s1
InChIInChI=1S/C13H11ClN2O3S2/c1-19-12(18)10-6-15-13(21-10)16-11(17)8-5-7(20-2)3-4-9(8)14/h3-6H,1-2H3,(H,15,16,17)
InChIKeyCTVPWUBMCHIYDA-UHFFFAOYSA-N
MW342.83 g/mol
LogP3.56
Rot. Bonds4

About methyl 2-[(2-chloro-5-methylsulfanylbenzoyl)amino]-1,3-thiazole-5-carboxylate

methyl 2-[(2-chloro-5-methylsulfanylbenzoyl)amino]-1,3-thiazole-5-carboxylate (PubChem CID 18103591) has the molecular formula C13H11ClN2O3S2 and a molecular weight of 342.83 g/mol. Its IUPAC name is methyl 2-[(2-chloro-5-methylsulfanylbenzoyl)amino]-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(2-chloro-5-methylsulfanylbenzoyl)amino]-1,3-thiazole-5-carboxylate
PubChem CID18103591
Molecular FormulaC13H11ClN2O3S2
Molecular Weight342.83 g/mol
Exact Mass341.99
IUPAC Namemethyl 2-[(2-chloro-5-methylsulfanylbenzoyl)amino]-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1cnc(NC(=O)c2cc(SC)ccc2Cl)s1
InChIInChI=1S/C13H11ClN2O3S2/c1-19-12(18)10-6-15-13(21-10)16-11(17)8-5-7(20-2)3-4-9(8)14/h3-6H,1-2H3,(H,15,16,17)
InChIKeyCTVPWUBMCHIYDA-UHFFFAOYSA-N
XLogP3.56
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.83
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 2-[(2-chloro-5-methylsulfanylbenzoyl)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

methyl 2-[(2,3-dichlorobenzoyl)amino]-1,3-thiazole-5-carboxylate
CID 18101566
methyl 2-[(4-chlorobenzoyl)amino]-1,3-thiazole-5-carboxylate
CID 18103549
methyl 2-[(2-methylfuran-3-carbonyl)amino]-1,3-thiazole-5-carboxylate
CID 18103755
methyl 2-[(3,4-difluorobenzoyl)amino]-1,3-thiazole-5-carboxylate
CID 18103744
2-chloro-5-methylsulfanyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 973569
methyl 2-[[2-(4-chlorophenyl)sulfanylacetyl]amino]-1,3-thiazole-5-carboxylate
CID 18103641
methyl 2-[(3-fluorobenzoyl)amino]-1,3-thiazole-5-carboxylate
CID 17415241
methyl 2-[[2-(2-chlorophenyl)acetyl]amino]-1,3-thiazole-5-carboxylate
CID 18103649
2-chloro-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-5-methylsulfanylbenzamide
CID 51148567
methyl 2-(4-chloro-3-methoxyanilino)-1,3-thiazole-5-carboxylate
CID 107623558
methyl 2-(2-chloro-5-methylanilino)-1,3-thiazole-5-carboxylate
CID 107638510
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-chloro-5-methylsulfanylbenzamide
CID 26243504

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-chloro-5-methylsulfanylbenzoyl)amino]-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 2-[(2-chloro-5-methylsulfanylbenzoyl)amino]-1,3-thiazole-5-carboxylate (CID 18103591) is methyl 2-[(2-chloro-5-methylsulfanylbenzoyl)amino]-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 2-[(2-chloro-5-methylsulfanylbenzoyl)amino]-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 2-[(2-chloro-5-methylsulfanylbenzoyl)amino]-1,3-thiazole-5-carboxylate is COC(=O)c1cnc(NC(=O)c2cc(SC)ccc2Cl)s1.
What is the InChIKey of methyl 2-[(2-chloro-5-methylsulfanylbenzoyl)amino]-1,3-thiazole-5-carboxylate?
The InChIKey is CTVPWUBMCHIYDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O3S2/c1-19-12(18)10-6-15-13(21-10)16-11(17)8-5-7(20-2)3-4-9(8)14/h3-6H,1-2H3,(H,15,16,17).
What are the key properties of methyl 2-[(2-chloro-5-methylsulfanylbenzoyl)amino]-1,3-thiazole-5-carboxylate?
methyl 2-[(2-chloro-5-methylsulfanylbenzoyl)amino]-1,3-thiazole-5-carboxylate has a molecular weight of 342.83 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-chloro-5-methylsulfanylbenzoyl)amino]-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 18103591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).