[5-methyl-2-(6-phenyl-3-pyridinyl)-1,3-thiazol-4-yl]methyl acetate

C18H16N2O2S — CID 174472025

IUPAC[5-methyl-2-(6-phenyl-3-pyridinyl)-1,3-thiazol-4-yl]methyl acetate
SMILESCC(=O)OCc1nc(-c2ccc(-c3ccccc3)nc2)sc1C
InChIInChI=1S/C18H16N2O2S/c1-12-17(11-22-13(2)21)20-18(23-12)15-8-9-16(19-10-15)14-6-4-3-5-7-14/h3-10H,11H2,1-2H3
InChIKeyRYDXWHIZWVPVKS-UHFFFAOYSA-N
MW324.41 g/mol
LogP4.24
Rot. Bonds4

About [5-methyl-2-(6-phenyl-3-pyridinyl)-1,3-thiazol-4-yl]methyl acetate

[5-methyl-2-(6-phenyl-3-pyridinyl)-1,3-thiazol-4-yl]methyl acetate (PubChem CID 174472025) has the molecular formula C18H16N2O2S and a molecular weight of 324.41 g/mol. Its IUPAC name is [5-methyl-2-(6-phenyl-3-pyridinyl)-1,3-thiazol-4-yl]methyl acetate.

Molecular Properties

Compound Name[5-methyl-2-(6-phenyl-3-pyridinyl)-1,3-thiazol-4-yl]methyl acetate
PubChem CID174472025
Molecular FormulaC18H16N2O2S
Molecular Weight324.41 g/mol
Exact Mass324.09
IUPAC Name[5-methyl-2-(6-phenyl-3-pyridinyl)-1,3-thiazol-4-yl]methyl acetate
SMILESCC(=O)OCc1nc(-c2ccc(-c3ccccc3)nc2)sc1C
InChIInChI=1S/C18H16N2O2S/c1-12-17(11-22-13(2)21)20-18(23-12)15-8-9-16(19-10-15)14-6-4-3-5-7-14/h3-10H,11H2,1-2H3
InChIKeyRYDXWHIZWVPVKS-UHFFFAOYSA-N
XLogP4.24
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 ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-methyl-2-(6-phenyl-3-pyridinyl)-1,3-thiazol-4-yl]methyl acetate?
The IUPAC name of [5-methyl-2-(6-phenyl-3-pyridinyl)-1,3-thiazol-4-yl]methyl acetate (CID 174472025) is [5-methyl-2-(6-phenyl-3-pyridinyl)-1,3-thiazol-4-yl]methyl acetate.
What is the SMILES notation for [5-methyl-2-(6-phenyl-3-pyridinyl)-1,3-thiazol-4-yl]methyl acetate?
The canonical SMILES for [5-methyl-2-(6-phenyl-3-pyridinyl)-1,3-thiazol-4-yl]methyl acetate is CC(=O)OCc1nc(-c2ccc(-c3ccccc3)nc2)sc1C.
What is the InChIKey of [5-methyl-2-(6-phenyl-3-pyridinyl)-1,3-thiazol-4-yl]methyl acetate?
The InChIKey is RYDXWHIZWVPVKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2S/c1-12-17(11-22-13(2)21)20-18(23-12)15-8-9-16(19-10-15)14-6-4-3-5-7-14/h3-10H,11H2,1-2H3.
What are the key properties of [5-methyl-2-(6-phenyl-3-pyridinyl)-1,3-thiazol-4-yl]methyl acetate?
[5-methyl-2-(6-phenyl-3-pyridinyl)-1,3-thiazol-4-yl]methyl acetate has a molecular weight of 324.41 g/mol, XLogP of 4.24, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-2-(6-phenyl-3-pyridinyl)-1,3-thiazol-4-yl]methyl acetate is sourced from PubChem (CID 174472025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).