methyl 5-methyl-2-(4-methylthiophen-3-yl)-1,3-thiazole-4-carboxylate

C11H11NO2S2 — CID 115422841

IUPACmethyl 5-methyl-2-(4-methylthiophen-3-yl)-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1nc(-c2cscc2C)sc1C
InChIInChI=1S/C11H11NO2S2/c1-6-4-15-5-8(6)10-12-9(7(2)16-10)11(13)14-3/h4-5H,1-3H3
InChIKeyRXSZHVCBGJCHIQ-UHFFFAOYSA-N
MW253.35 g/mol
LogP3.28
Rot. Bonds2

About methyl 5-methyl-2-(4-methylthiophen-3-yl)-1,3-thiazole-4-carboxylate

methyl 5-methyl-2-(4-methylthiophen-3-yl)-1,3-thiazole-4-carboxylate (PubChem CID 115422841) has the molecular formula C11H11NO2S2 and a molecular weight of 253.35 g/mol. Its IUPAC name is methyl 5-methyl-2-(4-methylthiophen-3-yl)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-methyl-2-(4-methylthiophen-3-yl)-1,3-thiazole-4-carboxylate
PubChem CID115422841
Molecular FormulaC11H11NO2S2
Molecular Weight253.35 g/mol
Exact Mass253.02
IUPAC Namemethyl 5-methyl-2-(4-methylthiophen-3-yl)-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1nc(-c2cscc2C)sc1C
InChIInChI=1S/C11H11NO2S2/c1-6-4-15-5-8(6)10-12-9(7(2)16-10)11(13)14-3/h4-5H,1-3H3
InChIKeyRXSZHVCBGJCHIQ-UHFFFAOYSA-N
XLogP3.28
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 5-methyl-2-(4-methylthiophen-3-yl)-1,3-thiazole-4-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-dimethylphenyl)-5-methyl-1,3-thiazole-4-carboxylate
CID 115422349
methyl 2-(2-fluorophenyl)-5-methyl-1,3-thiazole-4-carboxylate
CID 115422946
methyl 2-(3-chloro-2-fluorophenyl)-5-methyl-1,3-thiazole-4-carboxylate
CID 113306543
methyl 2-(2,6-dimethyl-4-pyridinyl)-5-methyl-1,3-thiazole-4-carboxylate
CID 107502186
methyl 5-methyl-2-(2-methyl-5-nitrophenyl)-1,3-thiazole-4-carboxylate
CID 115422913
methyl 5-methyl-2-(3-methylphenyl)-1,3-thiazole-4-carboxylate
CID 22494233
methyl 5-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxylate
CID 115422266
methyl 2-(3,5-dichlorophenyl)-5-methyl-1,3-thiazole-4-carboxylate
CID 113306376
methyl 2-(2-bromo-5-chlorophenyl)-5-methyl-1,3-thiazole-4-carboxylate
CID 113306372
methyl 2-(5-chlorothiophen-2-yl)-5-methyl-1,3-thiazole-4-carboxylate
CID 115422274
methyl 5-methyl-2-(1-methylimidazol-2-yl)-1,3-thiazole-4-carboxylate
CID 115422895
methyl 2-(3,4-dichlorophenyl)-5-methyl-1,3-thiazole-4-carboxylate
CID 113306371

Frequently Asked Questions

What is the IUPAC name of methyl 5-methyl-2-(4-methylthiophen-3-yl)-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 5-methyl-2-(4-methylthiophen-3-yl)-1,3-thiazole-4-carboxylate (CID 115422841) is methyl 5-methyl-2-(4-methylthiophen-3-yl)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 5-methyl-2-(4-methylthiophen-3-yl)-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 5-methyl-2-(4-methylthiophen-3-yl)-1,3-thiazole-4-carboxylate is COC(=O)c1nc(-c2cscc2C)sc1C.
What is the InChIKey of methyl 5-methyl-2-(4-methylthiophen-3-yl)-1,3-thiazole-4-carboxylate?
The InChIKey is RXSZHVCBGJCHIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2S2/c1-6-4-15-5-8(6)10-12-9(7(2)16-10)11(13)14-3/h4-5H,1-3H3.
What are the key properties of methyl 5-methyl-2-(4-methylthiophen-3-yl)-1,3-thiazole-4-carboxylate?
methyl 5-methyl-2-(4-methylthiophen-3-yl)-1,3-thiazole-4-carboxylate has a molecular weight of 253.35 g/mol, XLogP of 3.28, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-methyl-2-(4-methylthiophen-3-yl)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 115422841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).