(5Z)-4-methyl-6-phenyl-5-(5-phenyl-1,2-oxazolidin-3-ylidene)-1,6-dihydropyrimidine-2-thione

C20H19N3OS — CID 177499622

IUPAC(5Z)-4-methyl-6-phenyl-5-(5-phenyl-1,2-oxazolidin-3-ylidene)-1,6-dihydropyrimidine-2-thione
SMILESCC1=NC(=S)NC(c2ccccc2)/C1=C1\CC(c2ccccc2)ON1
InChIInChI=1S/C20H19N3OS/c1-13-18(16-12-17(24-23-16)14-8-4-2-5-9-14)19(22-20(25)21-13)15-10-6-3-7-11-15/h2-11,17,19,23H,12H2,1H3,(H,22,25)/b18-16+
InChIKeyIUBCJYLIQRWXKG-FBMGVBCBSA-N
MW349.46 g/mol
LogP4.00
Rot. Bonds2

About (5Z)-4-methyl-6-phenyl-5-(5-phenyl-1,2-oxazolidin-3-ylidene)-1,6-dihydropyrimidine-2-thione

(5Z)-4-methyl-6-phenyl-5-(5-phenyl-1,2-oxazolidin-3-ylidene)-1,6-dihydropyrimidine-2-thione (PubChem CID 177499622) has the molecular formula C20H19N3OS and a molecular weight of 349.46 g/mol. Its IUPAC name is (5Z)-4-methyl-6-phenyl-5-(5-phenyl-1,2-oxazolidin-3-ylidene)-1,6-dihydropyrimidine-2-thione.

Molecular Properties

Compound Name(5Z)-4-methyl-6-phenyl-5-(5-phenyl-1,2-oxazolidin-3-ylidene)-1,6-dihydropyrimidine-2-thione
PubChem CID177499622
Molecular FormulaC20H19N3OS
Molecular Weight349.46 g/mol
Exact Mass349.12
IUPAC Name(5Z)-4-methyl-6-phenyl-5-(5-phenyl-1,2-oxazolidin-3-ylidene)-1,6-dihydropyrimidine-2-thione
SMILESCC1=NC(=S)NC(c2ccccc2)/C1=C1\CC(c2ccccc2)ON1
InChIInChI=1S/C20H19N3OS/c1-13-18(16-12-17(24-23-16)14-8-4-2-5-9-14)19(22-20(25)21-13)15-10-6-3-7-11-15/h2-11,17,19,23H,12H2,1H3,(H,22,25)/b18-16+
InChIKeyIUBCJYLIQRWXKG-FBMGVBCBSA-N
XLogP4.00
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (5Z)-4-methyl-6-phenyl-5-(5-phenyl-1,2-oxazolidin-3-ylidene)-1,6-dihydropyrimidine-2-thione with MolForge

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Related Compounds

4-methyl-6-phenyl-5,6-dihydro-1H-pyrimidine-2-thione
CID 45056811
4,6-diphenyl-1,6-dihydropyrimidine-2,5-dithione
CID 12830733
4-anilino-5-(4-methylphenyl)-1,5-dihydroimidazole-2-thione
CID 140604946
4-anilino-5-(3-methylphenyl)-1,5-dihydroimidazole-2-thione
CID 140604940
4,5-bis(4-methylphenyl)-1,5-dihydroimidazole-2-thione
CID 25220246
2,3-dimethyl-4-phenyl-4H-imidazole-5-thione
CID 121223159
(3R,6S)-3,6-diphenylpiperazine-2,5-dione
CID 11323083
ethane;2-phenyloxirane
CID 54171856
5-phenyl-1,3-oxazolidine-2-thione
CID 10397377
2-phenyloxirane
CID 7276
(2S,5S)-2-methyl-5-phenyloxolane
CID 71447018
4,6-dimethyl-N-(2-phenyloxan-4-yl)pyrimidin-2-amine
CID 133474071

Frequently Asked Questions

What is the IUPAC name of (5Z)-4-methyl-6-phenyl-5-(5-phenyl-1,2-oxazolidin-3-ylidene)-1,6-dihydropyrimidine-2-thione?
The IUPAC name of (5Z)-4-methyl-6-phenyl-5-(5-phenyl-1,2-oxazolidin-3-ylidene)-1,6-dihydropyrimidine-2-thione (CID 177499622) is (5Z)-4-methyl-6-phenyl-5-(5-phenyl-1,2-oxazolidin-3-ylidene)-1,6-dihydropyrimidine-2-thione.
What is the SMILES notation for (5Z)-4-methyl-6-phenyl-5-(5-phenyl-1,2-oxazolidin-3-ylidene)-1,6-dihydropyrimidine-2-thione?
The canonical SMILES for (5Z)-4-methyl-6-phenyl-5-(5-phenyl-1,2-oxazolidin-3-ylidene)-1,6-dihydropyrimidine-2-thione is CC1=NC(=S)NC(c2ccccc2)/C1=C1\CC(c2ccccc2)ON1.
What is the InChIKey of (5Z)-4-methyl-6-phenyl-5-(5-phenyl-1,2-oxazolidin-3-ylidene)-1,6-dihydropyrimidine-2-thione?
The InChIKey is IUBCJYLIQRWXKG-FBMGVBCBSA-N. The full InChI is InChI=1S/C20H19N3OS/c1-13-18(16-12-17(24-23-16)14-8-4-2-5-9-14)19(22-20(25)21-13)15-10-6-3-7-11-15/h2-11,17,19,23H,12H2,1H3,(H,22,25)/b18-16+.
What are the key properties of (5Z)-4-methyl-6-phenyl-5-(5-phenyl-1,2-oxazolidin-3-ylidene)-1,6-dihydropyrimidine-2-thione?
(5Z)-4-methyl-6-phenyl-5-(5-phenyl-1,2-oxazolidin-3-ylidene)-1,6-dihydropyrimidine-2-thione has a molecular weight of 349.46 g/mol, XLogP of 4.00, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-4-methyl-6-phenyl-5-(5-phenyl-1,2-oxazolidin-3-ylidene)-1,6-dihydropyrimidine-2-thione is sourced from PubChem (CID 177499622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).