4-[2-[4-methyl-6-(1-methylimidazol-2-yl)-2-oxo-5,6-dihydro-1H-pyrimidin-5-yl]-1,3-thiazol-4-yl]benzonitrile

C19H16N6OS — CID 123727184

IUPAC4-[2-[4-methyl-6-(1-methylimidazol-2-yl)-2-oxo-5,6-dihydro-1H-pyrimidin-5-yl]-1,3-thiazol-4-yl]benzonitrile
SMILESCC1=NC(=O)NC(c2nccn2C)C1c1nc(-c2ccc(C#N)cc2)cs1
InChIInChI=1S/C19H16N6OS/c1-11-15(16(24-19(26)22-11)17-21-7-8-25(17)2)18-23-14(10-27-18)13-5-3-12(9-20)4-6-13/h3-8,10,15-16H,1-2H3,(H,24,26)
InChIKeyOAVAKGNGOYDQJY-UHFFFAOYSA-N
MW376.45 g/mol
LogP3.42
Rot. Bonds3

About 4-[2-[4-methyl-6-(1-methylimidazol-2-yl)-2-oxo-5,6-dihydro-1H-pyrimidin-5-yl]-1,3-thiazol-4-yl]benzonitrile

4-[2-[4-methyl-6-(1-methylimidazol-2-yl)-2-oxo-5,6-dihydro-1H-pyrimidin-5-yl]-1,3-thiazol-4-yl]benzonitrile (PubChem CID 123727184) has the molecular formula C19H16N6OS and a molecular weight of 376.45 g/mol. Its IUPAC name is 4-[2-[4-methyl-6-(1-methylimidazol-2-yl)-2-oxo-5,6-dihydro-1H-pyrimidin-5-yl]-1,3-thiazol-4-yl]benzonitrile.

Molecular Properties

Compound Name4-[2-[4-methyl-6-(1-methylimidazol-2-yl)-2-oxo-5,6-dihydro-1H-pyrimidin-5-yl]-1,3-thiazol-4-yl]benzonitrile
PubChem CID123727184
Molecular FormulaC19H16N6OS
Molecular Weight376.45 g/mol
Exact Mass376.11
IUPAC Name4-[2-[4-methyl-6-(1-methylimidazol-2-yl)-2-oxo-5,6-dihydro-1H-pyrimidin-5-yl]-1,3-thiazol-4-yl]benzonitrile
SMILESCC1=NC(=O)NC(c2nccn2C)C1c1nc(-c2ccc(C#N)cc2)cs1
InChIInChI=1S/C19H16N6OS/c1-11-15(16(24-19(26)22-11)17-21-7-8-25(17)2)18-23-14(10-27-18)13-5-3-12(9-20)4-6-13/h3-8,10,15-16H,1-2H3,(H,24,26)
InChIKeyOAVAKGNGOYDQJY-UHFFFAOYSA-N
XLogP3.42
TPSA95.96 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.45
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[2-[4-methyl-6-(1-methylimidazol-2-yl)-2-oxo-5,6-dihydro-1H-pyrimidin-5-yl]-1,3-thiazol-4-yl]benzonitrile with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-methyl-6-(1-methylimidazol-2-yl)-2-oxo-5,6-dihydro-1H-pyrimidin-5-yl]-1,3-thiazol-4-yl]benzonitrile?
The IUPAC name of 4-[2-[4-methyl-6-(1-methylimidazol-2-yl)-2-oxo-5,6-dihydro-1H-pyrimidin-5-yl]-1,3-thiazol-4-yl]benzonitrile (CID 123727184) is 4-[2-[4-methyl-6-(1-methylimidazol-2-yl)-2-oxo-5,6-dihydro-1H-pyrimidin-5-yl]-1,3-thiazol-4-yl]benzonitrile.
What is the SMILES notation for 4-[2-[4-methyl-6-(1-methylimidazol-2-yl)-2-oxo-5,6-dihydro-1H-pyrimidin-5-yl]-1,3-thiazol-4-yl]benzonitrile?
The canonical SMILES for 4-[2-[4-methyl-6-(1-methylimidazol-2-yl)-2-oxo-5,6-dihydro-1H-pyrimidin-5-yl]-1,3-thiazol-4-yl]benzonitrile is CC1=NC(=O)NC(c2nccn2C)C1c1nc(-c2ccc(C#N)cc2)cs1.
What is the InChIKey of 4-[2-[4-methyl-6-(1-methylimidazol-2-yl)-2-oxo-5,6-dihydro-1H-pyrimidin-5-yl]-1,3-thiazol-4-yl]benzonitrile?
The InChIKey is OAVAKGNGOYDQJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N6OS/c1-11-15(16(24-19(26)22-11)17-21-7-8-25(17)2)18-23-14(10-27-18)13-5-3-12(9-20)4-6-13/h3-8,10,15-16H,1-2H3,(H,24,26).
What are the key properties of 4-[2-[4-methyl-6-(1-methylimidazol-2-yl)-2-oxo-5,6-dihydro-1H-pyrimidin-5-yl]-1,3-thiazol-4-yl]benzonitrile?
4-[2-[4-methyl-6-(1-methylimidazol-2-yl)-2-oxo-5,6-dihydro-1H-pyrimidin-5-yl]-1,3-thiazol-4-yl]benzonitrile has a molecular weight of 376.45 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-methyl-6-(1-methylimidazol-2-yl)-2-oxo-5,6-dihydro-1H-pyrimidin-5-yl]-1,3-thiazol-4-yl]benzonitrile is sourced from PubChem (CID 123727184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).