ethyl 2-propan-2-yl-6-(1,3-thiazol-2-yl)pyridine-3-carboxylate

C14H16N2O2S — CID 116533369

IUPACethyl 2-propan-2-yl-6-(1,3-thiazol-2-yl)pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(-c2nccs2)nc1C(C)C
InChIInChI=1S/C14H16N2O2S/c1-4-18-14(17)10-5-6-11(13-15-7-8-19-13)16-12(10)9(2)3/h5-9H,4H2,1-3H3
InChIKeyRPJFVFLTZUIBIH-UHFFFAOYSA-N
MW276.36 g/mol
LogP3.51
Rot. Bonds4

About ethyl 2-propan-2-yl-6-(1,3-thiazol-2-yl)pyridine-3-carboxylate

ethyl 2-propan-2-yl-6-(1,3-thiazol-2-yl)pyridine-3-carboxylate (PubChem CID 116533369) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is ethyl 2-propan-2-yl-6-(1,3-thiazol-2-yl)pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-propan-2-yl-6-(1,3-thiazol-2-yl)pyridine-3-carboxylate
PubChem CID116533369
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC Nameethyl 2-propan-2-yl-6-(1,3-thiazol-2-yl)pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(-c2nccs2)nc1C(C)C
InChIInChI=1S/C14H16N2O2S/c1-4-18-14(17)10-5-6-11(13-15-7-8-19-13)16-12(10)9(2)3/h5-9H,4H2,1-3H3
InChIKeyRPJFVFLTZUIBIH-UHFFFAOYSA-N
XLogP3.51
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethyl-6-(1,3-thiazol-2-yl)pyridine-3-carboxylic acid
CID 116533031
ethyl 2,4-di(propan-2-yl)pyrimidine-5-carboxylate
CID 22831820
ethyl 6-(3-chlorophenyl)-2-propan-2-ylpyridine-3-carboxylate
CID 116533326
ethyl 3-methyl-6-(1,3-thiazol-2-yl)imidazo[2,1-b][1,3]thiazole-2-carboxylate
CID 81494571
ethyl 2-(1,3-thiazol-2-yl)propanoate
CID 158867991
ethyl 2-(3-methoxypentan-3-yl)-4-propan-2-ylpyrimidine-5-carboxylate
CID 102972953
ethyl 6-(3-methylthiophen-2-yl)-2-propylpyridine-3-carboxylate
CID 116533106
2-(6-ethoxy-2-pyridinyl)-1,3-thiazole
CID 56606761
ethyl 2-[3-methyl-4-(1,3-thiazol-2-yl)phenyl]propanoate
CID 150791633
ethyl 2-amino-3-(1,3-thiazol-2-ylmethylamino)benzoate
CID 113332759
ethyl 5-methyl-6-phenyl-2-propan-2-ylpyridine-3-carboxylate
CID 116533372
ethyl 2,6-diaminopyridine-3-carboxylate
CID 58784252

Frequently Asked Questions

What is the IUPAC name of ethyl 2-propan-2-yl-6-(1,3-thiazol-2-yl)pyridine-3-carboxylate?
The IUPAC name of ethyl 2-propan-2-yl-6-(1,3-thiazol-2-yl)pyridine-3-carboxylate (CID 116533369) is ethyl 2-propan-2-yl-6-(1,3-thiazol-2-yl)pyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-propan-2-yl-6-(1,3-thiazol-2-yl)pyridine-3-carboxylate?
The canonical SMILES for ethyl 2-propan-2-yl-6-(1,3-thiazol-2-yl)pyridine-3-carboxylate is CCOC(=O)c1ccc(-c2nccs2)nc1C(C)C.
What is the InChIKey of ethyl 2-propan-2-yl-6-(1,3-thiazol-2-yl)pyridine-3-carboxylate?
The InChIKey is RPJFVFLTZUIBIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-4-18-14(17)10-5-6-11(13-15-7-8-19-13)16-12(10)9(2)3/h5-9H,4H2,1-3H3.
What are the key properties of ethyl 2-propan-2-yl-6-(1,3-thiazol-2-yl)pyridine-3-carboxylate?
ethyl 2-propan-2-yl-6-(1,3-thiazol-2-yl)pyridine-3-carboxylate has a molecular weight of 276.36 g/mol, XLogP of 3.51, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-propan-2-yl-6-(1,3-thiazol-2-yl)pyridine-3-carboxylate is sourced from PubChem (CID 116533369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).