4-(4-hydroxy-3-methoxyphenyl)-6-[4-(1,3-thiazol-4-yl)phenyl]-1H-pyrimidin-2-one

C20H15N3O3S — CID 146654025

IUPAC4-(4-hydroxy-3-methoxyphenyl)-6-[4-(1,3-thiazol-4-yl)phenyl]-1H-pyrimidin-2-one
SMILESCOc1cc(-c2cc(-c3ccc(-c4cscn4)cc3)[nH]c(=O)n2)ccc1O
InChIInChI=1S/C20H15N3O3S/c1-26-19-8-14(6-7-18(19)24)16-9-15(22-20(25)23-16)12-2-4-13(5-3-12)17-10-27-11-21-17/h2-11,24H,1H3,(H,22,23,25)
InChIKeyJQFHGLZXCWOEJG-UHFFFAOYSA-N
MW377.43 g/mol
LogP3.94
Rot. Bonds4

About 4-(4-hydroxy-3-methoxyphenyl)-6-[4-(1,3-thiazol-4-yl)phenyl]-1H-pyrimidin-2-one

4-(4-hydroxy-3-methoxyphenyl)-6-[4-(1,3-thiazol-4-yl)phenyl]-1H-pyrimidin-2-one (PubChem CID 146654025) has the molecular formula C20H15N3O3S and a molecular weight of 377.43 g/mol. Its IUPAC name is 4-(4-hydroxy-3-methoxyphenyl)-6-[4-(1,3-thiazol-4-yl)phenyl]-1H-pyrimidin-2-one.

Molecular Properties

Compound Name4-(4-hydroxy-3-methoxyphenyl)-6-[4-(1,3-thiazol-4-yl)phenyl]-1H-pyrimidin-2-one
PubChem CID146654025
Molecular FormulaC20H15N3O3S
Molecular Weight377.43 g/mol
Exact Mass377.08
IUPAC Name4-(4-hydroxy-3-methoxyphenyl)-6-[4-(1,3-thiazol-4-yl)phenyl]-1H-pyrimidin-2-one
SMILESCOc1cc(-c2cc(-c3ccc(-c4cscn4)cc3)[nH]c(=O)n2)ccc1O
InChIInChI=1S/C20H15N3O3S/c1-26-19-8-14(6-7-18(19)24)16-9-15(22-20(25)23-16)12-2-4-13(5-3-12)17-10-27-11-21-17/h2-11,24H,1H3,(H,22,23,25)
InChIKeyJQFHGLZXCWOEJG-UHFFFAOYSA-N
XLogP3.94
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.43
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxy-3-methoxyphenyl)-6-[4-(1,3-thiazol-4-yl)phenyl]-1H-pyrimidin-2-one?
The IUPAC name of 4-(4-hydroxy-3-methoxyphenyl)-6-[4-(1,3-thiazol-4-yl)phenyl]-1H-pyrimidin-2-one (CID 146654025) is 4-(4-hydroxy-3-methoxyphenyl)-6-[4-(1,3-thiazol-4-yl)phenyl]-1H-pyrimidin-2-one.
What is the SMILES notation for 4-(4-hydroxy-3-methoxyphenyl)-6-[4-(1,3-thiazol-4-yl)phenyl]-1H-pyrimidin-2-one?
The canonical SMILES for 4-(4-hydroxy-3-methoxyphenyl)-6-[4-(1,3-thiazol-4-yl)phenyl]-1H-pyrimidin-2-one is COc1cc(-c2cc(-c3ccc(-c4cscn4)cc3)[nH]c(=O)n2)ccc1O.
What is the InChIKey of 4-(4-hydroxy-3-methoxyphenyl)-6-[4-(1,3-thiazol-4-yl)phenyl]-1H-pyrimidin-2-one?
The InChIKey is JQFHGLZXCWOEJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O3S/c1-26-19-8-14(6-7-18(19)24)16-9-15(22-20(25)23-16)12-2-4-13(5-3-12)17-10-27-11-21-17/h2-11,24H,1H3,(H,22,23,25).
What are the key properties of 4-(4-hydroxy-3-methoxyphenyl)-6-[4-(1,3-thiazol-4-yl)phenyl]-1H-pyrimidin-2-one?
4-(4-hydroxy-3-methoxyphenyl)-6-[4-(1,3-thiazol-4-yl)phenyl]-1H-pyrimidin-2-one has a molecular weight of 377.43 g/mol, XLogP of 3.94, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxy-3-methoxyphenyl)-6-[4-(1,3-thiazol-4-yl)phenyl]-1H-pyrimidin-2-one is sourced from PubChem (CID 146654025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).