1-[4-(4-hydroxyphenyl)-2-pyridin-4-yl-1,3-thiazol-5-yl]ethanone

C16H12N2O2S — CID 82541265

IUPAC1-[4-(4-hydroxyphenyl)-2-pyridin-4-yl-1,3-thiazol-5-yl]ethanone
SMILESCC(=O)c1sc(-c2ccncc2)nc1-c1ccc(O)cc1
InChIInChI=1S/C16H12N2O2S/c1-10(19)15-14(11-2-4-13(20)5-3-11)18-16(21-15)12-6-8-17-9-7-12/h2-9,20H,1H3
InChIKeyQVWWWHACPVVHIS-UHFFFAOYSA-N
MW296.35 g/mol
LogP3.78
Rot. Bonds3

About 1-[4-(4-hydroxyphenyl)-2-pyridin-4-yl-1,3-thiazol-5-yl]ethanone

1-[4-(4-hydroxyphenyl)-2-pyridin-4-yl-1,3-thiazol-5-yl]ethanone (PubChem CID 82541265) has the molecular formula C16H12N2O2S and a molecular weight of 296.35 g/mol. Its IUPAC name is 1-[4-(4-hydroxyphenyl)-2-pyridin-4-yl-1,3-thiazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[4-(4-hydroxyphenyl)-2-pyridin-4-yl-1,3-thiazol-5-yl]ethanone
PubChem CID82541265
Molecular FormulaC16H12N2O2S
Molecular Weight296.35 g/mol
Exact Mass296.06
IUPAC Name1-[4-(4-hydroxyphenyl)-2-pyridin-4-yl-1,3-thiazol-5-yl]ethanone
SMILESCC(=O)c1sc(-c2ccncc2)nc1-c1ccc(O)cc1
InChIInChI=1S/C16H12N2O2S/c1-10(19)15-14(11-2-4-13(20)5-3-11)18-16(21-15)12-6-8-17-9-7-12/h2-9,20H,1H3
InChIKeyQVWWWHACPVVHIS-UHFFFAOYSA-N
XLogP3.78
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-hydroxyphenyl)-2-pyridin-4-yl-1,3-thiazol-5-yl]ethanone?
The IUPAC name of 1-[4-(4-hydroxyphenyl)-2-pyridin-4-yl-1,3-thiazol-5-yl]ethanone (CID 82541265) is 1-[4-(4-hydroxyphenyl)-2-pyridin-4-yl-1,3-thiazol-5-yl]ethanone.
What is the SMILES notation for 1-[4-(4-hydroxyphenyl)-2-pyridin-4-yl-1,3-thiazol-5-yl]ethanone?
The canonical SMILES for 1-[4-(4-hydroxyphenyl)-2-pyridin-4-yl-1,3-thiazol-5-yl]ethanone is CC(=O)c1sc(-c2ccncc2)nc1-c1ccc(O)cc1.
What is the InChIKey of 1-[4-(4-hydroxyphenyl)-2-pyridin-4-yl-1,3-thiazol-5-yl]ethanone?
The InChIKey is QVWWWHACPVVHIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O2S/c1-10(19)15-14(11-2-4-13(20)5-3-11)18-16(21-15)12-6-8-17-9-7-12/h2-9,20H,1H3.
What are the key properties of 1-[4-(4-hydroxyphenyl)-2-pyridin-4-yl-1,3-thiazol-5-yl]ethanone?
1-[4-(4-hydroxyphenyl)-2-pyridin-4-yl-1,3-thiazol-5-yl]ethanone has a molecular weight of 296.35 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-hydroxyphenyl)-2-pyridin-4-yl-1,3-thiazol-5-yl]ethanone is sourced from PubChem (CID 82541265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).