methyl 3-[2-(3-ethyl-4-pyridinyl)-1,3-thiazol-4-yl]propanoate

C14H16N2O2S — CID 107039688

IUPACmethyl 3-[2-(3-ethyl-4-pyridinyl)-1,3-thiazol-4-yl]propanoate
SMILESCCc1cnccc1-c1nc(CCC(=O)OC)cs1
InChIInChI=1S/C14H16N2O2S/c1-3-10-8-15-7-6-12(10)14-16-11(9-19-14)4-5-13(17)18-2/h6-9H,3-5H2,1-2H3
InChIKeyYKONULBDKGJFEB-UHFFFAOYSA-N
MW276.36 g/mol
LogP2.87
Rot. Bonds5

About methyl 3-[2-(3-ethyl-4-pyridinyl)-1,3-thiazol-4-yl]propanoate

methyl 3-[2-(3-ethyl-4-pyridinyl)-1,3-thiazol-4-yl]propanoate (PubChem CID 107039688) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is methyl 3-[2-(3-ethyl-4-pyridinyl)-1,3-thiazol-4-yl]propanoate.

Molecular Properties

Compound Namemethyl 3-[2-(3-ethyl-4-pyridinyl)-1,3-thiazol-4-yl]propanoate
PubChem CID107039688
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC Namemethyl 3-[2-(3-ethyl-4-pyridinyl)-1,3-thiazol-4-yl]propanoate
SMILESCCc1cnccc1-c1nc(CCC(=O)OC)cs1
InChIInChI=1S/C14H16N2O2S/c1-3-10-8-15-7-6-12(10)14-16-11(9-19-14)4-5-13(17)18-2/h6-9H,3-5H2,1-2H3
InChIKeyYKONULBDKGJFEB-UHFFFAOYSA-N
XLogP2.87
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-(3-ethyl-4-pyridinyl)propanoate
CID 174235269
methyl 3-[2-(2,3-dimethylphenyl)-1,3-thiazol-4-yl]propanoate
CID 107039611
methyl 3-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]propanoate
CID 107039584
ethyl 3-(2-pyrazin-2-yl-1,3-thiazol-4-yl)propanoate
CID 103485378
methyl 3-[2-(2-bromo-5-chlorophenyl)-1,3-thiazol-4-yl]propanoate
CID 107039551
methyl 3-[2-(dimethylamino)-1,3-thiazol-4-yl]propanoate
CID 107039652
methyl 3-[2-(4-nitrophenyl)-1,3-thiazol-4-yl]propanoate
CID 107039821
methyl 3-[2-[methyl(propyl)amino]-1,3-thiazol-4-yl]propanoate
CID 107039998
methyl 3-[2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-4-yl]propanoate
CID 100677303
methyl 3-[2-(2-fluoro-6-methylsulfanylphenyl)-1,3-thiazol-4-yl]propanoate
CID 107039730
methyl 3-[2-(2-aminoethyl)-1,3-thiazol-4-yl]propanoate
CID 94256912
methyl 3-[2-(2-methoxyethyl)-1,3-thiazol-4-yl]propanoate
CID 107039799

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-(3-ethyl-4-pyridinyl)-1,3-thiazol-4-yl]propanoate?
The IUPAC name of methyl 3-[2-(3-ethyl-4-pyridinyl)-1,3-thiazol-4-yl]propanoate (CID 107039688) is methyl 3-[2-(3-ethyl-4-pyridinyl)-1,3-thiazol-4-yl]propanoate.
What is the SMILES notation for methyl 3-[2-(3-ethyl-4-pyridinyl)-1,3-thiazol-4-yl]propanoate?
The canonical SMILES for methyl 3-[2-(3-ethyl-4-pyridinyl)-1,3-thiazol-4-yl]propanoate is CCc1cnccc1-c1nc(CCC(=O)OC)cs1.
What is the InChIKey of methyl 3-[2-(3-ethyl-4-pyridinyl)-1,3-thiazol-4-yl]propanoate?
The InChIKey is YKONULBDKGJFEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-3-10-8-15-7-6-12(10)14-16-11(9-19-14)4-5-13(17)18-2/h6-9H,3-5H2,1-2H3.
What are the key properties of methyl 3-[2-(3-ethyl-4-pyridinyl)-1,3-thiazol-4-yl]propanoate?
methyl 3-[2-(3-ethyl-4-pyridinyl)-1,3-thiazol-4-yl]propanoate has a molecular weight of 276.36 g/mol, XLogP of 2.87, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-(3-ethyl-4-pyridinyl)-1,3-thiazol-4-yl]propanoate is sourced from PubChem (CID 107039688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).