ethyl 2-methyl-6-phenyl-4-(1,3-thiazol-2-yl)pyridine-3-carboxylate

C18H16N2O2S — CID 11232567

IUPACethyl 2-methyl-6-phenyl-4-(1,3-thiazol-2-yl)pyridine-3-carboxylate
SMILESCCOC(=O)c1c(-c2nccs2)cc(-c2ccccc2)nc1C
InChIInChI=1S/C18H16N2O2S/c1-3-22-18(21)16-12(2)20-15(13-7-5-4-6-8-13)11-14(16)17-19-9-10-23-17/h4-11H,3H2,1-2H3
InChIKeyDYWWAGSNTJHSPG-UHFFFAOYSA-N
MW324.41 g/mol
LogP4.36
Rot. Bonds4

About ethyl 2-methyl-6-phenyl-4-(1,3-thiazol-2-yl)pyridine-3-carboxylate

ethyl 2-methyl-6-phenyl-4-(1,3-thiazol-2-yl)pyridine-3-carboxylate (PubChem CID 11232567) has the molecular formula C18H16N2O2S and a molecular weight of 324.41 g/mol. Its IUPAC name is ethyl 2-methyl-6-phenyl-4-(1,3-thiazol-2-yl)pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-methyl-6-phenyl-4-(1,3-thiazol-2-yl)pyridine-3-carboxylate
PubChem CID11232567
Molecular FormulaC18H16N2O2S
Molecular Weight324.41 g/mol
Exact Mass324.09
IUPAC Nameethyl 2-methyl-6-phenyl-4-(1,3-thiazol-2-yl)pyridine-3-carboxylate
SMILESCCOC(=O)c1c(-c2nccs2)cc(-c2ccccc2)nc1C
InChIInChI=1S/C18H16N2O2S/c1-3-22-18(21)16-12(2)20-15(13-7-5-4-6-8-13)11-14(16)17-19-9-10-23-17/h4-11H,3H2,1-2H3
InChIKeyDYWWAGSNTJHSPG-UHFFFAOYSA-N
XLogP4.36
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-6-phenyl-4-(1,3-thiazol-2-yl)pyridine-3-carboxylate?
The IUPAC name of ethyl 2-methyl-6-phenyl-4-(1,3-thiazol-2-yl)pyridine-3-carboxylate (CID 11232567) is ethyl 2-methyl-6-phenyl-4-(1,3-thiazol-2-yl)pyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-methyl-6-phenyl-4-(1,3-thiazol-2-yl)pyridine-3-carboxylate?
The canonical SMILES for ethyl 2-methyl-6-phenyl-4-(1,3-thiazol-2-yl)pyridine-3-carboxylate is CCOC(=O)c1c(-c2nccs2)cc(-c2ccccc2)nc1C.
What is the InChIKey of ethyl 2-methyl-6-phenyl-4-(1,3-thiazol-2-yl)pyridine-3-carboxylate?
The InChIKey is DYWWAGSNTJHSPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2S/c1-3-22-18(21)16-12(2)20-15(13-7-5-4-6-8-13)11-14(16)17-19-9-10-23-17/h4-11H,3H2,1-2H3.
What are the key properties of ethyl 2-methyl-6-phenyl-4-(1,3-thiazol-2-yl)pyridine-3-carboxylate?
ethyl 2-methyl-6-phenyl-4-(1,3-thiazol-2-yl)pyridine-3-carboxylate has a molecular weight of 324.41 g/mol, XLogP of 4.36, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-6-phenyl-4-(1,3-thiazol-2-yl)pyridine-3-carboxylate is sourced from PubChem (CID 11232567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).