[phenyl(pyridin-4-yl)methyl] 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate

C19H18N2O3S — CID 86863216

IUPAC[phenyl(pyridin-4-yl)methyl] 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate
SMILESCc1csc(=O)n1CCC(=O)OC(c1ccccc1)c1ccncc1
InChIInChI=1S/C19H18N2O3S/c1-14-13-25-19(23)21(14)12-9-17(22)24-18(15-5-3-2-4-6-15)16-7-10-20-11-8-16/h2-8,10-11,13,18H,9,12H2,1H3
InChIKeyYUKNGNWGMYYDIQ-UHFFFAOYSA-N
MW354.43 g/mol
LogP3.34
Rot. Bonds6

About [phenyl(pyridin-4-yl)methyl] 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate

[phenyl(pyridin-4-yl)methyl] 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate (PubChem CID 86863216) has the molecular formula C19H18N2O3S and a molecular weight of 354.43 g/mol. Its IUPAC name is [phenyl(pyridin-4-yl)methyl] 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate.

Molecular Properties

Compound Name[phenyl(pyridin-4-yl)methyl] 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate
PubChem CID86863216
Molecular FormulaC19H18N2O3S
Molecular Weight354.43 g/mol
Exact Mass354.10
IUPAC Name[phenyl(pyridin-4-yl)methyl] 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate
SMILESCc1csc(=O)n1CCC(=O)OC(c1ccccc1)c1ccncc1
InChIInChI=1S/C19H18N2O3S/c1-14-13-25-19(23)21(14)12-9-17(22)24-18(15-5-3-2-4-6-15)16-7-10-20-11-8-16/h2-8,10-11,13,18H,9,12H2,1H3
InChIKeyYUKNGNWGMYYDIQ-UHFFFAOYSA-N
XLogP3.34
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [phenyl(pyridin-4-yl)methyl] 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate?
The IUPAC name of [phenyl(pyridin-4-yl)methyl] 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate (CID 86863216) is [phenyl(pyridin-4-yl)methyl] 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate.
What is the SMILES notation for [phenyl(pyridin-4-yl)methyl] 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate?
The canonical SMILES for [phenyl(pyridin-4-yl)methyl] 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate is Cc1csc(=O)n1CCC(=O)OC(c1ccccc1)c1ccncc1.
What is the InChIKey of [phenyl(pyridin-4-yl)methyl] 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate?
The InChIKey is YUKNGNWGMYYDIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3S/c1-14-13-25-19(23)21(14)12-9-17(22)24-18(15-5-3-2-4-6-15)16-7-10-20-11-8-16/h2-8,10-11,13,18H,9,12H2,1H3.
What are the key properties of [phenyl(pyridin-4-yl)methyl] 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate?
[phenyl(pyridin-4-yl)methyl] 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate has a molecular weight of 354.43 g/mol, XLogP of 3.34, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [phenyl(pyridin-4-yl)methyl] 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate is sourced from PubChem (CID 86863216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).