methyl 4-chloro-2-methylsulfanyl-1,3-thiazole-5-carboxylate

C6H6ClNO2S2 — CID 26598969

IUPACmethyl 4-chloro-2-methylsulfanyl-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(SC)nc1Cl
InChIInChI=1S/C6H6ClNO2S2/c1-10-5(9)3-4(7)8-6(11-2)12-3/h1-2H3
InChIKeyCKYYAYRVGGMEOF-UHFFFAOYSA-N
MW223.71 g/mol
LogP2.31
Rot. Bonds2

About methyl 4-chloro-2-methylsulfanyl-1,3-thiazole-5-carboxylate

methyl 4-chloro-2-methylsulfanyl-1,3-thiazole-5-carboxylate (PubChem CID 26598969) has the molecular formula C6H6ClNO2S2 and a molecular weight of 223.71 g/mol. Its IUPAC name is methyl 4-chloro-2-methylsulfanyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-chloro-2-methylsulfanyl-1,3-thiazole-5-carboxylate
PubChem CID26598969
Molecular FormulaC6H6ClNO2S2
Molecular Weight223.71 g/mol
Exact Mass222.95
IUPAC Namemethyl 4-chloro-2-methylsulfanyl-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(SC)nc1Cl
InChIInChI=1S/C6H6ClNO2S2/c1-10-5(9)3-4(7)8-6(11-2)12-3/h1-2H3
InChIKeyCKYYAYRVGGMEOF-UHFFFAOYSA-N
XLogP2.31
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.71
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 4-chloro-2-methylsulfanyl-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

Frequently Asked Questions

What is the IUPAC name of methyl 4-chloro-2-methylsulfanyl-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 4-chloro-2-methylsulfanyl-1,3-thiazole-5-carboxylate (CID 26598969) is methyl 4-chloro-2-methylsulfanyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 4-chloro-2-methylsulfanyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 4-chloro-2-methylsulfanyl-1,3-thiazole-5-carboxylate is COC(=O)c1sc(SC)nc1Cl.
What is the InChIKey of methyl 4-chloro-2-methylsulfanyl-1,3-thiazole-5-carboxylate?
The InChIKey is CKYYAYRVGGMEOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClNO2S2/c1-10-5(9)3-4(7)8-6(11-2)12-3/h1-2H3.
What are the key properties of methyl 4-chloro-2-methylsulfanyl-1,3-thiazole-5-carboxylate?
methyl 4-chloro-2-methylsulfanyl-1,3-thiazole-5-carboxylate has a molecular weight of 223.71 g/mol, XLogP of 2.31, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-chloro-2-methylsulfanyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 26598969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).