methyl 2-(2-methylsulfanylanilino)-1,3-thiazole-5-carboxylate

C12H12N2O2S2 — CID 107647034

IUPACmethyl 2-(2-methylsulfanylanilino)-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1cnc(Nc2ccccc2SC)s1
InChIInChI=1S/C12H12N2O2S2/c1-16-11(15)10-7-13-12(18-10)14-8-5-3-4-6-9(8)17-2/h3-7H,1-2H3,(H,13,14)
InChIKeyVKPMYICUVQMZFA-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.40
Rot. Bonds4

About methyl 2-(2-methylsulfanylanilino)-1,3-thiazole-5-carboxylate

methyl 2-(2-methylsulfanylanilino)-1,3-thiazole-5-carboxylate (PubChem CID 107647034) has the molecular formula C12H12N2O2S2 and a molecular weight of 280.37 g/mol. Its IUPAC name is methyl 2-(2-methylsulfanylanilino)-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-(2-methylsulfanylanilino)-1,3-thiazole-5-carboxylate
PubChem CID107647034
Molecular FormulaC12H12N2O2S2
Molecular Weight280.37 g/mol
Exact Mass280.03
IUPAC Namemethyl 2-(2-methylsulfanylanilino)-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1cnc(Nc2ccccc2SC)s1
InChIInChI=1S/C12H12N2O2S2/c1-16-11(15)10-7-13-12(18-10)14-8-5-3-4-6-9(8)17-2/h3-7H,1-2H3,(H,13,14)
InChIKeyVKPMYICUVQMZFA-UHFFFAOYSA-N
XLogP3.40
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 2-(2-methylsulfanylanilino)-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-methyl-3-pyridinyl)amino]-1,3-thiazole-5-carboxylate
CID 80572957
methyl 2-[2-(methoxymethyl)anilino]-1,3-thiazole-5-carboxylate
CID 80570947
methyl 2-(3-iodo-2-methylanilino)-1,3-thiazole-5-carboxylate
CID 114258140
methyl 2-(quinolin-5-ylamino)-1,3-thiazole-5-carboxylate
CID 80570737
methyl 2-(2,4,5-trifluoroanilino)-1,3-thiazole-5-carboxylate
CID 80571341
methyl 2-(5-chloro-2-fluoroanilino)-1,3-thiazole-5-carboxylate
CID 80572347
methyl 2-(2-fluoro-5-methylanilino)-1,3-thiazole-5-carboxylate
CID 80572029
methyl 2-(4-fluoro-2-iodoanilino)-1,3-thiazole-5-carboxylate
CID 80572767
methyl 2-(2-chloro-5-methylanilino)-1,3-thiazole-5-carboxylate
CID 107638510
methyl 2-(4-methoxyanilino)-1,3-thiazole-5-carboxylate
CID 80570836
2-(2-aminoanilino)-1,3-thiazole-5-carboxylic acid
CID 87396018
methyl 2-[4-bromo-2-(trifluoromethyl)anilino]-1,3-thiazole-5-carboxylate
CID 80572325

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-methylsulfanylanilino)-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 2-(2-methylsulfanylanilino)-1,3-thiazole-5-carboxylate (CID 107647034) is methyl 2-(2-methylsulfanylanilino)-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 2-(2-methylsulfanylanilino)-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 2-(2-methylsulfanylanilino)-1,3-thiazole-5-carboxylate is COC(=O)c1cnc(Nc2ccccc2SC)s1.
What is the InChIKey of methyl 2-(2-methylsulfanylanilino)-1,3-thiazole-5-carboxylate?
The InChIKey is VKPMYICUVQMZFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2S2/c1-16-11(15)10-7-13-12(18-10)14-8-5-3-4-6-9(8)17-2/h3-7H,1-2H3,(H,13,14).
What are the key properties of methyl 2-(2-methylsulfanylanilino)-1,3-thiazole-5-carboxylate?
methyl 2-(2-methylsulfanylanilino)-1,3-thiazole-5-carboxylate has a molecular weight of 280.37 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-methylsulfanylanilino)-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 107647034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).