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

C12H13NO2S2 — CID 66644769

IUPACethyl 4-methyl-2-(4-methylthiophen-2-yl)-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(-c2cc(C)cs2)nc1C
InChIInChI=1S/C12H13NO2S2/c1-4-15-12(14)10-8(3)13-11(17-10)9-5-7(2)6-16-9/h5-6H,4H2,1-3H3
InChIKeyHMCLJAPDGZYMPK-UHFFFAOYSA-N
MW267.38 g/mol
LogP3.67
Rot. Bonds3

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

ethyl 4-methyl-2-(4-methylthiophen-2-yl)-1,3-thiazole-5-carboxylate (PubChem CID 66644769) has the molecular formula C12H13NO2S2 and a molecular weight of 267.38 g/mol. Its IUPAC name is ethyl 4-methyl-2-(4-methylthiophen-2-yl)-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-methyl-2-(4-methylthiophen-2-yl)-1,3-thiazole-5-carboxylate
PubChem CID66644769
Molecular FormulaC12H13NO2S2
Molecular Weight267.38 g/mol
Exact Mass267.04
IUPAC Nameethyl 4-methyl-2-(4-methylthiophen-2-yl)-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(-c2cc(C)cs2)nc1C
InChIInChI=1S/C12H13NO2S2/c1-4-15-12(14)10-8(3)13-11(17-10)9-5-7(2)6-16-9/h5-6H,4H2,1-3H3
InChIKeyHMCLJAPDGZYMPK-UHFFFAOYSA-N
XLogP3.67
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 4-methyl-2-(4-methylthiophen-2-yl)-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 ethyl 4-methyl-2-(4-methylthiophen-2-yl)-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 4-methyl-2-(4-methylthiophen-2-yl)-1,3-thiazole-5-carboxylate (CID 66644769) is ethyl 4-methyl-2-(4-methylthiophen-2-yl)-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 4-methyl-2-(4-methylthiophen-2-yl)-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 4-methyl-2-(4-methylthiophen-2-yl)-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(-c2cc(C)cs2)nc1C.
What is the InChIKey of ethyl 4-methyl-2-(4-methylthiophen-2-yl)-1,3-thiazole-5-carboxylate?
The InChIKey is HMCLJAPDGZYMPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2S2/c1-4-15-12(14)10-8(3)13-11(17-10)9-5-7(2)6-16-9/h5-6H,4H2,1-3H3.
What are the key properties of ethyl 4-methyl-2-(4-methylthiophen-2-yl)-1,3-thiazole-5-carboxylate?
ethyl 4-methyl-2-(4-methylthiophen-2-yl)-1,3-thiazole-5-carboxylate has a molecular weight of 267.38 g/mol, XLogP of 3.67, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-methyl-2-(4-methylthiophen-2-yl)-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 66644769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).