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

C11H11NO2S2 — CID 63992032

IUPACethyl 4-(3-methylthiophen-2-yl)-1,3-thiazole-2-carboxylate
SMILESCCOC(=O)c1nc(-c2sccc2C)cs1
InChIInChI=1S/C11H11NO2S2/c1-3-14-11(13)10-12-8(6-16-10)9-7(2)4-5-15-9/h4-6H,3H2,1-2H3
InChIKeyUPHPVUJKPVUFSL-UHFFFAOYSA-N
MW253.35 g/mol
LogP3.36
Rot. Bonds3

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

ethyl 4-(3-methylthiophen-2-yl)-1,3-thiazole-2-carboxylate (PubChem CID 63992032) has the molecular formula C11H11NO2S2 and a molecular weight of 253.35 g/mol. Its IUPAC name is ethyl 4-(3-methylthiophen-2-yl)-1,3-thiazole-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-(3-methylthiophen-2-yl)-1,3-thiazole-2-carboxylate
PubChem CID63992032
Molecular FormulaC11H11NO2S2
Molecular Weight253.35 g/mol
Exact Mass253.02
IUPAC Nameethyl 4-(3-methylthiophen-2-yl)-1,3-thiazole-2-carboxylate
SMILESCCOC(=O)c1nc(-c2sccc2C)cs1
InChIInChI=1S/C11H11NO2S2/c1-3-14-11(13)10-12-8(6-16-10)9-7(2)4-5-15-9/h4-6H,3H2,1-2H3
InChIKeyUPHPVUJKPVUFSL-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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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(3-methylthiophen-2-yl)-1,3-thiazole-2-carboxylate?
The IUPAC name of ethyl 4-(3-methylthiophen-2-yl)-1,3-thiazole-2-carboxylate (CID 63992032) is ethyl 4-(3-methylthiophen-2-yl)-1,3-thiazole-2-carboxylate.
What is the SMILES notation for ethyl 4-(3-methylthiophen-2-yl)-1,3-thiazole-2-carboxylate?
The canonical SMILES for ethyl 4-(3-methylthiophen-2-yl)-1,3-thiazole-2-carboxylate is CCOC(=O)c1nc(-c2sccc2C)cs1.
What is the InChIKey of ethyl 4-(3-methylthiophen-2-yl)-1,3-thiazole-2-carboxylate?
The InChIKey is UPHPVUJKPVUFSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2S2/c1-3-14-11(13)10-12-8(6-16-10)9-7(2)4-5-15-9/h4-6H,3H2,1-2H3.
What are the key properties of ethyl 4-(3-methylthiophen-2-yl)-1,3-thiazole-2-carboxylate?
ethyl 4-(3-methylthiophen-2-yl)-1,3-thiazole-2-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 4-(3-methylthiophen-2-yl)-1,3-thiazole-2-carboxylate is sourced from PubChem (CID 63992032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).