ethyl 2-methyl-5-thiophen-3-yl-1,3-thiazole-4-carboxylate

C11H11NO2S2 — CID 53271415

IUPACethyl 2-methyl-5-thiophen-3-yl-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1nc(C)sc1-c1ccsc1
InChIInChI=1S/C11H11NO2S2/c1-3-14-11(13)9-10(16-7(2)12-9)8-4-5-15-6-8/h4-6H,3H2,1-2H3
InChIKeyUQDZNTACMGVKIF-UHFFFAOYSA-N
MW253.35 g/mol
LogP3.36
Rot. Bonds3

About ethyl 2-methyl-5-thiophen-3-yl-1,3-thiazole-4-carboxylate

ethyl 2-methyl-5-thiophen-3-yl-1,3-thiazole-4-carboxylate (PubChem CID 53271415) has the molecular formula C11H11NO2S2 and a molecular weight of 253.35 g/mol. Its IUPAC name is ethyl 2-methyl-5-thiophen-3-yl-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-methyl-5-thiophen-3-yl-1,3-thiazole-4-carboxylate
PubChem CID53271415
Molecular FormulaC11H11NO2S2
Molecular Weight253.35 g/mol
Exact Mass253.02
IUPAC Nameethyl 2-methyl-5-thiophen-3-yl-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1nc(C)sc1-c1ccsc1
InChIInChI=1S/C11H11NO2S2/c1-3-14-11(13)9-10(16-7(2)12-9)8-4-5-15-6-8/h4-6H,3H2,1-2H3
InChIKeyUQDZNTACMGVKIF-UHFFFAOYSA-N
XLogP3.36
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl 5-(4-cyanophenyl)-2-methyl-1,3-thiazole-4-carboxylate
CID 25214355
2-(Methoxymethyl)-5-phenyl-1,3-thiazole-4-carboxylic acid
CID 64717491
Ethyl 5-phenylthiazole-4-carboxylate
CID 12300673
ethyl 2-[(1S)-1-acetyloxyethyl]-5-(4-fluorophenyl)-1,3-thiazole-4-carboxylate
CID 9862632
5-(2-Fluoro-phenyl)-2-methyl-thiazole-4-carboxylic acid methyl ester
CID 53271154
Methyl 5-(4-fluorophenyl)-2-methylthiazole-4-carboxylate
CID 53271155
5-(3-Fluoro-phenyl)-2-methyl-thiazole-4-carboxylic acid methyl ester
CID 57437164
Ethyl 2-(fluoromethyl)-5-phenyl-1,3-thiazole-4-carboxylate
CID 59291267
4-Thiazolecarboxylic acid, 5-phenyl-2-(trifluoromethyl)-, ethyl ester
CID 59291348
Ethyl 2-(difluoromethyl)-5-phenyl-1,3-thiazole-4-carboxylate
CID 59291595
2-Methyl-5-(3,4-difluoro-phenyl)-thiazole-4-carboxylic acid methyl ester
CID 66703730
2-Cyclopropyl-5-(4-fluoro-phenyl)-thiazole-4-carboxylic acid methyl ester
CID 66844913

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-5-thiophen-3-yl-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 2-methyl-5-thiophen-3-yl-1,3-thiazole-4-carboxylate (CID 53271415) is ethyl 2-methyl-5-thiophen-3-yl-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-methyl-5-thiophen-3-yl-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-methyl-5-thiophen-3-yl-1,3-thiazole-4-carboxylate is CCOC(=O)c1nc(C)sc1-c1ccsc1.
What is the InChIKey of ethyl 2-methyl-5-thiophen-3-yl-1,3-thiazole-4-carboxylate?
The InChIKey is UQDZNTACMGVKIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2S2/c1-3-14-11(13)9-10(16-7(2)12-9)8-4-5-15-6-8/h4-6H,3H2,1-2H3.
What are the key properties of ethyl 2-methyl-5-thiophen-3-yl-1,3-thiazole-4-carboxylate?
ethyl 2-methyl-5-thiophen-3-yl-1,3-thiazole-4-carboxylate has a molecular weight of 253.35 g/mol, XLogP of 3.36, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-5-thiophen-3-yl-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 53271415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).