4-(3-hydroxyphenyl)-5-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-6-methyl-3,4-dihydro-1H-pyrimidin-2-one

C21H19N3O3S — CID 71292605

IUPAC4-(3-hydroxyphenyl)-5-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-6-methyl-3,4-dihydro-1H-pyrimidin-2-one
SMILESCOc1ccc(-c2csc(C3=C(C)NC(=O)NC3c3cccc(O)c3)n2)cc1
InChIInChI=1S/C21H19N3O3S/c1-12-18(19(24-21(26)22-12)14-4-3-5-15(25)10-14)20-23-17(11-28-20)13-6-8-16(27-2)9-7-13/h3-11,19,25H,1-2H3,(H2,22,24,26)
InChIKeyGNAYHLKZGRHQQQ-UHFFFAOYSA-N
MW393.47 g/mol
LogP4.31
Rot. Bonds4

About 4-(3-hydroxyphenyl)-5-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-6-methyl-3,4-dihydro-1H-pyrimidin-2-one

4-(3-hydroxyphenyl)-5-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-6-methyl-3,4-dihydro-1H-pyrimidin-2-one (PubChem CID 71292605) has the molecular formula C21H19N3O3S and a molecular weight of 393.47 g/mol. Its IUPAC name is 4-(3-hydroxyphenyl)-5-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-6-methyl-3,4-dihydro-1H-pyrimidin-2-one.

Molecular Properties

Compound Name4-(3-hydroxyphenyl)-5-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-6-methyl-3,4-dihydro-1H-pyrimidin-2-one
PubChem CID71292605
Molecular FormulaC21H19N3O3S
Molecular Weight393.47 g/mol
Exact Mass393.11
IUPAC Name4-(3-hydroxyphenyl)-5-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-6-methyl-3,4-dihydro-1H-pyrimidin-2-one
SMILESCOc1ccc(-c2csc(C3=C(C)NC(=O)NC3c3cccc(O)c3)n2)cc1
InChIInChI=1S/C21H19N3O3S/c1-12-18(19(24-21(26)22-12)14-4-3-5-15(25)10-14)20-23-17(11-28-20)13-6-8-16(27-2)9-7-13/h3-11,19,25H,1-2H3,(H2,22,24,26)
InChIKeyGNAYHLKZGRHQQQ-UHFFFAOYSA-N
XLogP4.31
TPSA83.48 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 54.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-(3-hydroxyphenyl)-5-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-6-methyl-3,4-dihydro-1H-pyrimidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-6-methyl-4-(6-methyl-3-pyridinyl)-3,4-dihydro-1H-pyrimidin-2-one
CID 147135860
6-methyl-5-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-4-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidin-2-one
CID 147171421
5-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-6-methyl-4-(4-phenoxyphenyl)-3,4-dihydro-1H-pyrimidin-2-one
CID 89427160
4-[2-[4-(3,4-dihydroxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidin-5-yl]-1,3-thiazol-4-yl]benzonitrile
CID 71505727
5-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-6-methyl-4-pyridin-4-yl-3,4-dihydro-1H-pyrimidin-2-one
CID 89427113
5-[4-(3-aminophenyl)-1,3-thiazol-2-yl]-6-(3-hydroxyphenyl)-3,4-dimethyl-1,6-dihydropyrimidin-2-one
CID 89427127
4-[2-(6-methyl-2-oxo-4-pyridin-2-yl-3,4-dihydro-1H-pyrimidin-5-yl)-1,3-thiazol-4-yl]benzonitrile
CID 71506623
5-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-4-(2,6-dichloro-3-pyridinyl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one
CID 89427132
5-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-4-(2,4-dimethoxypyrimidin-5-yl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one
CID 89427200
5-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-6-methyl-4-[6-(trifluoromethyl)-3-pyridinyl]-3,4-dihydro-1H-pyrimidin-2-one
CID 89427141
4-[2-[4-(1-benzothiophen-2-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidin-5-yl]-1,3-thiazol-4-yl]benzonitrile
CID 71506813
6-methyl-5-[4-[4-(methylamino)phenyl]-1,3-thiazol-2-yl]-4-[6-(trifluoromethyl)-3-pyridinyl]-3,4-dihydro-1H-pyrimidin-2-one
CID 162565891

Frequently Asked Questions

What is the IUPAC name of 4-(3-hydroxyphenyl)-5-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-6-methyl-3,4-dihydro-1H-pyrimidin-2-one?
The IUPAC name of 4-(3-hydroxyphenyl)-5-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-6-methyl-3,4-dihydro-1H-pyrimidin-2-one (CID 71292605) is 4-(3-hydroxyphenyl)-5-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-6-methyl-3,4-dihydro-1H-pyrimidin-2-one.
What is the SMILES notation for 4-(3-hydroxyphenyl)-5-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-6-methyl-3,4-dihydro-1H-pyrimidin-2-one?
The canonical SMILES for 4-(3-hydroxyphenyl)-5-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-6-methyl-3,4-dihydro-1H-pyrimidin-2-one is COc1ccc(-c2csc(C3=C(C)NC(=O)NC3c3cccc(O)c3)n2)cc1.
What is the InChIKey of 4-(3-hydroxyphenyl)-5-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-6-methyl-3,4-dihydro-1H-pyrimidin-2-one?
The InChIKey is GNAYHLKZGRHQQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O3S/c1-12-18(19(24-21(26)22-12)14-4-3-5-15(25)10-14)20-23-17(11-28-20)13-6-8-16(27-2)9-7-13/h3-11,19,25H,1-2H3,(H2,22,24,26).
What are the key properties of 4-(3-hydroxyphenyl)-5-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-6-methyl-3,4-dihydro-1H-pyrimidin-2-one?
4-(3-hydroxyphenyl)-5-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-6-methyl-3,4-dihydro-1H-pyrimidin-2-one has a molecular weight of 393.47 g/mol, XLogP of 4.31, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-hydroxyphenyl)-5-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-6-methyl-3,4-dihydro-1H-pyrimidin-2-one is sourced from PubChem (CID 71292605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).