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

C20H16ClN3O2S — CID 71292523

IUPAC5-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-(3-hydroxyphenyl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one
SMILESCC1=C(c2nc(-c3ccc(Cl)cc3)cs2)C(c2cccc(O)c2)NC(=O)N1
InChIInChI=1S/C20H16ClN3O2S/c1-11-17(18(24-20(26)22-11)13-3-2-4-15(25)9-13)19-23-16(10-27-19)12-5-7-14(21)8-6-12/h2-10,18,25H,1H3,(H2,22,24,26)
InChIKeyZMAIXCVQAKGNIT-UHFFFAOYSA-N
MW397.89 g/mol
LogP4.95
Rot. Bonds3

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

5-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-(3-hydroxyphenyl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one (PubChem CID 71292523) has the molecular formula C20H16ClN3O2S and a molecular weight of 397.89 g/mol. Its IUPAC name is 5-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-(3-hydroxyphenyl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one.

Molecular Properties

Compound Name5-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-(3-hydroxyphenyl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one
PubChem CID71292523
Molecular FormulaC20H16ClN3O2S
Molecular Weight397.89 g/mol
Exact Mass397.07
IUPAC Name5-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-(3-hydroxyphenyl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one
SMILESCC1=C(c2nc(-c3ccc(Cl)cc3)cs2)C(c2cccc(O)c2)NC(=O)N1
InChIInChI=1S/C20H16ClN3O2S/c1-11-17(18(24-20(26)22-11)13-3-2-4-15(25)9-13)19-23-16(10-27-19)12-5-7-14(21)8-6-12/h2-10,18,25H,1H3,(H2,22,24,26)
InChIKeyZMAIXCVQAKGNIT-UHFFFAOYSA-N
XLogP4.95
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.89
LogP ≤ 54.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-(3-hydroxyphenyl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one?
The IUPAC name of 5-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-(3-hydroxyphenyl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one (CID 71292523) is 5-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-(3-hydroxyphenyl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one.
What is the SMILES notation for 5-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-(3-hydroxyphenyl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one?
The canonical SMILES for 5-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-(3-hydroxyphenyl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one is CC1=C(c2nc(-c3ccc(Cl)cc3)cs2)C(c2cccc(O)c2)NC(=O)N1.
What is the InChIKey of 5-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-(3-hydroxyphenyl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one?
The InChIKey is ZMAIXCVQAKGNIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN3O2S/c1-11-17(18(24-20(26)22-11)13-3-2-4-15(25)9-13)19-23-16(10-27-19)12-5-7-14(21)8-6-12/h2-10,18,25H,1H3,(H2,22,24,26).
What are the key properties of 5-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-(3-hydroxyphenyl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one?
5-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-(3-hydroxyphenyl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one has a molecular weight of 397.89 g/mol, XLogP of 4.95, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-(3-hydroxyphenyl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one is sourced from PubChem (CID 71292523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).