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

C12H12N2O2S — CID 2763623

IUPACethyl 4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(-c2ccccn2)nc1C
InChIInChI=1S/C12H12N2O2S/c1-3-16-12(15)10-8(2)14-11(17-10)9-6-4-5-7-13-9/h4-7H,3H2,1-2H3
InChIKeyUGCVLLXXBVTJPK-UHFFFAOYSA-N
MW248.31 g/mol
LogP2.69
Rot. Bonds3

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

ethyl 4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxylate (PubChem CID 2763623) has the molecular formula C12H12N2O2S and a molecular weight of 248.31 g/mol. Its IUPAC name is ethyl 4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxylate
PubChem CID2763623
Molecular FormulaC12H12N2O2S
Molecular Weight248.31 g/mol
Exact Mass248.06
IUPAC Nameethyl 4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(-c2ccccn2)nc1C
InChIInChI=1S/C12H12N2O2S/c1-3-16-12(15)10-8(2)14-11(17-10)9-6-4-5-7-13-9/h4-7H,3H2,1-2H3
InChIKeyUGCVLLXXBVTJPK-UHFFFAOYSA-N
XLogP2.69
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxylate (CID 2763623) is ethyl 4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(-c2ccccn2)nc1C.
What is the InChIKey of ethyl 4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxylate?
The InChIKey is UGCVLLXXBVTJPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2S/c1-3-16-12(15)10-8(2)14-11(17-10)9-6-4-5-7-13-9/h4-7H,3H2,1-2H3.
What are the key properties of ethyl 4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxylate?
ethyl 4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxylate has a molecular weight of 248.31 g/mol, XLogP of 2.69, 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-pyridin-2-yl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 2763623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).