ethyl 3-hydroxy-4-methyl-5-(2-phenyl-1,3-thiazol-5-yl)pyridine-2-carboxylate

C18H16N2O3S — CID 175931630

IUPACethyl 3-hydroxy-4-methyl-5-(2-phenyl-1,3-thiazol-5-yl)pyridine-2-carboxylate
SMILESCCOC(=O)c1ncc(-c2cnc(-c3ccccc3)s2)c(C)c1O
InChIInChI=1S/C18H16N2O3S/c1-3-23-18(22)15-16(21)11(2)13(9-19-15)14-10-20-17(24-14)12-7-5-4-6-8-12/h4-10,21H,3H2,1-2H3
InChIKeyQFHUIZPGDCTAKO-UHFFFAOYSA-N
MW340.40 g/mol
LogP4.06
Rot. Bonds4

About ethyl 3-hydroxy-4-methyl-5-(2-phenyl-1,3-thiazol-5-yl)pyridine-2-carboxylate

ethyl 3-hydroxy-4-methyl-5-(2-phenyl-1,3-thiazol-5-yl)pyridine-2-carboxylate (PubChem CID 175931630) has the molecular formula C18H16N2O3S and a molecular weight of 340.40 g/mol. Its IUPAC name is ethyl 3-hydroxy-4-methyl-5-(2-phenyl-1,3-thiazol-5-yl)pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-hydroxy-4-methyl-5-(2-phenyl-1,3-thiazol-5-yl)pyridine-2-carboxylate
PubChem CID175931630
Molecular FormulaC18H16N2O3S
Molecular Weight340.40 g/mol
Exact Mass340.09
IUPAC Nameethyl 3-hydroxy-4-methyl-5-(2-phenyl-1,3-thiazol-5-yl)pyridine-2-carboxylate
SMILESCCOC(=O)c1ncc(-c2cnc(-c3ccccc3)s2)c(C)c1O
InChIInChI=1S/C18H16N2O3S/c1-3-23-18(22)15-16(21)11(2)13(9-19-15)14-10-20-17(24-14)12-7-5-4-6-8-12/h4-10,21H,3H2,1-2H3
InChIKeyQFHUIZPGDCTAKO-UHFFFAOYSA-N
XLogP4.06
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-hydroxy-4-methyl-5-(2-phenyl-1,3-thiazol-5-yl)pyridine-2-carboxylic acid
CID 162731592
2-(2-phenyl-1,3-thiazol-5-yl)benzamide
CID 174783115
ethyl 2,5-diphenyl-1,3-thiazole-4-carboxylate
CID 11001366
5-ethoxycarbonyl-3-hydroxy-2-phenylpyridine-4-carboxylic acid;hydrochloride
CID 131710706
ethyl 4-(5-methylthiophen-2-yl)-5-phenylpyridine-2-carboxylate
CID 134940968
ethyl 3-(5-phenyl-1,3-thiazol-2-yl)imidazole-4-carboxylate
CID 142317159
ethyl 5-(2-bromoethyl)-2-phenyl-1,3-thiazole-4-carboxylate
CID 174699502
ethyl 2-methyl-5-phenyl-1,3-thiazole-4-carboxylate;hydrochloride
CID 112758002
ethyl 2-(2-methylphenyl)-1,3-thiazole-5-carboxylate
CID 91757223
2-(4-methylphenyl)-5-naphthalen-1-yl-1,3-thiazole
CID 23244777
ethyl 4-(bromomethyl)-2-(4-phenylphenyl)-1,3-thiazole-5-carboxylate
CID 143535277
ethyl 5-(difluoromethyl)-3-hydroxy-4-(trifluoromethyl)pyridine-2-carboxylate
CID 133102453

Frequently Asked Questions

What is the IUPAC name of ethyl 3-hydroxy-4-methyl-5-(2-phenyl-1,3-thiazol-5-yl)pyridine-2-carboxylate?
The IUPAC name of ethyl 3-hydroxy-4-methyl-5-(2-phenyl-1,3-thiazol-5-yl)pyridine-2-carboxylate (CID 175931630) is ethyl 3-hydroxy-4-methyl-5-(2-phenyl-1,3-thiazol-5-yl)pyridine-2-carboxylate.
What is the SMILES notation for ethyl 3-hydroxy-4-methyl-5-(2-phenyl-1,3-thiazol-5-yl)pyridine-2-carboxylate?
The canonical SMILES for ethyl 3-hydroxy-4-methyl-5-(2-phenyl-1,3-thiazol-5-yl)pyridine-2-carboxylate is CCOC(=O)c1ncc(-c2cnc(-c3ccccc3)s2)c(C)c1O.
What is the InChIKey of ethyl 3-hydroxy-4-methyl-5-(2-phenyl-1,3-thiazol-5-yl)pyridine-2-carboxylate?
The InChIKey is QFHUIZPGDCTAKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3S/c1-3-23-18(22)15-16(21)11(2)13(9-19-15)14-10-20-17(24-14)12-7-5-4-6-8-12/h4-10,21H,3H2,1-2H3.
What are the key properties of ethyl 3-hydroxy-4-methyl-5-(2-phenyl-1,3-thiazol-5-yl)pyridine-2-carboxylate?
ethyl 3-hydroxy-4-methyl-5-(2-phenyl-1,3-thiazol-5-yl)pyridine-2-carboxylate has a molecular weight of 340.40 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-hydroxy-4-methyl-5-(2-phenyl-1,3-thiazol-5-yl)pyridine-2-carboxylate is sourced from PubChem (CID 175931630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).