5-[4-(3-aminophenyl)-1,3-thiazol-2-yl]-6-(3-hydroxyphenyl)-3,4-dimethyl-1,6-dihydropyrimidin-2-one

C21H20N4O2S — CID 89427127

IUPAC5-[4-(3-aminophenyl)-1,3-thiazol-2-yl]-6-(3-hydroxyphenyl)-3,4-dimethyl-1,6-dihydropyrimidin-2-one
SMILESCC1=C(c2nc(-c3cccc(N)c3)cs2)C(c2cccc(O)c2)NC(=O)N1C
InChIInChI=1S/C21H20N4O2S/c1-12-18(20-23-17(11-28-20)13-5-3-7-15(22)9-13)19(24-21(27)25(12)2)14-6-4-8-16(26)10-14/h3-11,19,26H,22H2,1-2H3,(H,24,27)
InChIKeyDYKXEZXBVXKBSP-UHFFFAOYSA-N
MW392.48 g/mol
LogP4.23
Rot. Bonds3

About 5-[4-(3-aminophenyl)-1,3-thiazol-2-yl]-6-(3-hydroxyphenyl)-3,4-dimethyl-1,6-dihydropyrimidin-2-one

5-[4-(3-aminophenyl)-1,3-thiazol-2-yl]-6-(3-hydroxyphenyl)-3,4-dimethyl-1,6-dihydropyrimidin-2-one (PubChem CID 89427127) has the molecular formula C21H20N4O2S and a molecular weight of 392.48 g/mol. Its IUPAC name is 5-[4-(3-aminophenyl)-1,3-thiazol-2-yl]-6-(3-hydroxyphenyl)-3,4-dimethyl-1,6-dihydropyrimidin-2-one.

Molecular Properties

Compound Name5-[4-(3-aminophenyl)-1,3-thiazol-2-yl]-6-(3-hydroxyphenyl)-3,4-dimethyl-1,6-dihydropyrimidin-2-one
PubChem CID89427127
Molecular FormulaC21H20N4O2S
Molecular Weight392.48 g/mol
Exact Mass392.13
IUPAC Name5-[4-(3-aminophenyl)-1,3-thiazol-2-yl]-6-(3-hydroxyphenyl)-3,4-dimethyl-1,6-dihydropyrimidin-2-one
SMILESCC1=C(c2nc(-c3cccc(N)c3)cs2)C(c2cccc(O)c2)NC(=O)N1C
InChIInChI=1S/C21H20N4O2S/c1-12-18(20-23-17(11-28-20)13-5-3-7-15(22)9-13)19(24-21(27)25(12)2)14-6-4-8-16(26)10-14/h3-11,19,26H,22H2,1-2H3,(H,24,27)
InChIKeyDYKXEZXBVXKBSP-UHFFFAOYSA-N
XLogP4.23
TPSA91.48 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 54.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-(3-hydroxyphenyl)-5-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-6-methyl-3,4-dihydro-1H-pyrimidin-2-one
CID 71292605
3-[2-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-4-yl]aniline
CID 107504187
3-[2-(6-methoxypyridazin-3-yl)-1,3-thiazol-4-yl]aniline
CID 103374862
3-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]aniline
CID 7148555
6-methyl-5-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-4-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidin-2-one
CID 147171421
3-[4-(1,3-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]aniline
CID 65197542
3-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]aniline
CID 43667884
5-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-6-methyl-4-pyridin-4-yl-3,4-dihydro-1H-pyrimidin-2-one
CID 89427113
3-[2-(1,4-dimethylpiperazin-2-yl)-1,3-thiazol-4-yl]aniline
CID 79667047
4-(3-aminophenyl)-N,N-dimethyl-1,3-thiazol-2-amine
CID 46398312
3-(4-pyridin-2-yl-1,3-thiazol-2-yl)aniline
CID 7148715
3-(4-methyl-1,3-thiazol-2-yl)aniline
CID 7148568

Frequently Asked Questions

What is the IUPAC name of 5-[4-(3-aminophenyl)-1,3-thiazol-2-yl]-6-(3-hydroxyphenyl)-3,4-dimethyl-1,6-dihydropyrimidin-2-one?
The IUPAC name of 5-[4-(3-aminophenyl)-1,3-thiazol-2-yl]-6-(3-hydroxyphenyl)-3,4-dimethyl-1,6-dihydropyrimidin-2-one (CID 89427127) is 5-[4-(3-aminophenyl)-1,3-thiazol-2-yl]-6-(3-hydroxyphenyl)-3,4-dimethyl-1,6-dihydropyrimidin-2-one.
What is the SMILES notation for 5-[4-(3-aminophenyl)-1,3-thiazol-2-yl]-6-(3-hydroxyphenyl)-3,4-dimethyl-1,6-dihydropyrimidin-2-one?
The canonical SMILES for 5-[4-(3-aminophenyl)-1,3-thiazol-2-yl]-6-(3-hydroxyphenyl)-3,4-dimethyl-1,6-dihydropyrimidin-2-one is CC1=C(c2nc(-c3cccc(N)c3)cs2)C(c2cccc(O)c2)NC(=O)N1C.
What is the InChIKey of 5-[4-(3-aminophenyl)-1,3-thiazol-2-yl]-6-(3-hydroxyphenyl)-3,4-dimethyl-1,6-dihydropyrimidin-2-one?
The InChIKey is DYKXEZXBVXKBSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2S/c1-12-18(20-23-17(11-28-20)13-5-3-7-15(22)9-13)19(24-21(27)25(12)2)14-6-4-8-16(26)10-14/h3-11,19,26H,22H2,1-2H3,(H,24,27).
What are the key properties of 5-[4-(3-aminophenyl)-1,3-thiazol-2-yl]-6-(3-hydroxyphenyl)-3,4-dimethyl-1,6-dihydropyrimidin-2-one?
5-[4-(3-aminophenyl)-1,3-thiazol-2-yl]-6-(3-hydroxyphenyl)-3,4-dimethyl-1,6-dihydropyrimidin-2-one has a molecular weight of 392.48 g/mol, XLogP of 4.23, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(3-aminophenyl)-1,3-thiazol-2-yl]-6-(3-hydroxyphenyl)-3,4-dimethyl-1,6-dihydropyrimidin-2-one is sourced from PubChem (CID 89427127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).