N-[(4-cyanophenyl)methyl]-3-[[4-(dimethylcarbamoyl)phenyl]methyl]-4-methyl-2-oxo-1,3-thiazole-5-carboxamide

C23H22N4O3S — CID 46943130

IUPACN-[(4-cyanophenyl)methyl]-3-[[4-(dimethylcarbamoyl)phenyl]methyl]-4-methyl-2-oxo-1,3-thiazole-5-carboxamide
SMILESCc1c(C(=O)NCc2ccc(C#N)cc2)sc(=O)n1Cc1ccc(C(=O)N(C)C)cc1
InChIInChI=1S/C23H22N4O3S/c1-15-20(21(28)25-13-17-6-4-16(12-24)5-7-17)31-23(30)27(15)14-18-8-10-19(11-9-18)22(29)26(2)3/h4-11H,13-14H2,1-3H3,(H,25,28)
InChIKeyRYJNGDDTIBEUKM-UHFFFAOYSA-N
MW434.52 g/mol
LogP2.77
Rot. Bonds6

About N-[(4-cyanophenyl)methyl]-3-[[4-(dimethylcarbamoyl)phenyl]methyl]-4-methyl-2-oxo-1,3-thiazole-5-carboxamide

N-[(4-cyanophenyl)methyl]-3-[[4-(dimethylcarbamoyl)phenyl]methyl]-4-methyl-2-oxo-1,3-thiazole-5-carboxamide (PubChem CID 46943130) has the molecular formula C23H22N4O3S and a molecular weight of 434.52 g/mol. Its IUPAC name is N-[(4-cyanophenyl)methyl]-3-[[4-(dimethylcarbamoyl)phenyl]methyl]-4-methyl-2-oxo-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(4-cyanophenyl)methyl]-3-[[4-(dimethylcarbamoyl)phenyl]methyl]-4-methyl-2-oxo-1,3-thiazole-5-carboxamide
PubChem CID46943130
Molecular FormulaC23H22N4O3S
Molecular Weight434.52 g/mol
Exact Mass434.14
IUPAC NameN-[(4-cyanophenyl)methyl]-3-[[4-(dimethylcarbamoyl)phenyl]methyl]-4-methyl-2-oxo-1,3-thiazole-5-carboxamide
SMILESCc1c(C(=O)NCc2ccc(C#N)cc2)sc(=O)n1Cc1ccc(C(=O)N(C)C)cc1
InChIInChI=1S/C23H22N4O3S/c1-15-20(21(28)25-13-17-6-4-16(12-24)5-7-17)31-23(30)27(15)14-18-8-10-19(11-9-18)22(29)26(2)3/h4-11H,13-14H2,1-3H3,(H,25,28)
InChIKeyRYJNGDDTIBEUKM-UHFFFAOYSA-N
XLogP2.77
TPSA95.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.52
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(4-cyanophenyl)methyl]-3-[[4-(dimethylcarbamoyl)phenyl]methyl]-4-methyl-2-oxo-1,3-thiazole-5-carboxamide 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 N-[(4-cyanophenyl)methyl]-3-[[4-(dimethylcarbamoyl)phenyl]methyl]-4-methyl-2-oxo-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[(4-cyanophenyl)methyl]-3-[[4-(dimethylcarbamoyl)phenyl]methyl]-4-methyl-2-oxo-1,3-thiazole-5-carboxamide (CID 46943130) is N-[(4-cyanophenyl)methyl]-3-[[4-(dimethylcarbamoyl)phenyl]methyl]-4-methyl-2-oxo-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[(4-cyanophenyl)methyl]-3-[[4-(dimethylcarbamoyl)phenyl]methyl]-4-methyl-2-oxo-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[(4-cyanophenyl)methyl]-3-[[4-(dimethylcarbamoyl)phenyl]methyl]-4-methyl-2-oxo-1,3-thiazole-5-carboxamide is Cc1c(C(=O)NCc2ccc(C#N)cc2)sc(=O)n1Cc1ccc(C(=O)N(C)C)cc1.
What is the InChIKey of N-[(4-cyanophenyl)methyl]-3-[[4-(dimethylcarbamoyl)phenyl]methyl]-4-methyl-2-oxo-1,3-thiazole-5-carboxamide?
The InChIKey is RYJNGDDTIBEUKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O3S/c1-15-20(21(28)25-13-17-6-4-16(12-24)5-7-17)31-23(30)27(15)14-18-8-10-19(11-9-18)22(29)26(2)3/h4-11H,13-14H2,1-3H3,(H,25,28).
What are the key properties of N-[(4-cyanophenyl)methyl]-3-[[4-(dimethylcarbamoyl)phenyl]methyl]-4-methyl-2-oxo-1,3-thiazole-5-carboxamide?
N-[(4-cyanophenyl)methyl]-3-[[4-(dimethylcarbamoyl)phenyl]methyl]-4-methyl-2-oxo-1,3-thiazole-5-carboxamide has a molecular weight of 434.52 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyanophenyl)methyl]-3-[[4-(dimethylcarbamoyl)phenyl]methyl]-4-methyl-2-oxo-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 46943130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).