N-[1-(4-methylphenyl)-1-(1,2,4-triazol-1-yl)butan-2-yl]-2-phenyl-1,3-thiazole-5-carboxamide

C23H23N5OS — CID 71909332

IUPACN-[1-(4-methylphenyl)-1-(1,2,4-triazol-1-yl)butan-2-yl]-2-phenyl-1,3-thiazole-5-carboxamide
SMILESCCC(NC(=O)c1cnc(-c2ccccc2)s1)C(c1ccc(C)cc1)n1cncn1
InChIInChI=1S/C23H23N5OS/c1-3-19(21(28-15-24-14-26-28)17-11-9-16(2)10-12-17)27-22(29)20-13-25-23(30-20)18-7-5-4-6-8-18/h4-15,19,21H,3H2,1-2H3,(H,27,29)
InChIKeyWJKZLWVLLLYYAT-UHFFFAOYSA-N
MW417.54 g/mol
LogP4.51
Rot. Bonds7

About N-[1-(4-methylphenyl)-1-(1,2,4-triazol-1-yl)butan-2-yl]-2-phenyl-1,3-thiazole-5-carboxamide

N-[1-(4-methylphenyl)-1-(1,2,4-triazol-1-yl)butan-2-yl]-2-phenyl-1,3-thiazole-5-carboxamide (PubChem CID 71909332) has the molecular formula C23H23N5OS and a molecular weight of 417.54 g/mol. Its IUPAC name is N-[1-(4-methylphenyl)-1-(1,2,4-triazol-1-yl)butan-2-yl]-2-phenyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-(4-methylphenyl)-1-(1,2,4-triazol-1-yl)butan-2-yl]-2-phenyl-1,3-thiazole-5-carboxamide
PubChem CID71909332
Molecular FormulaC23H23N5OS
Molecular Weight417.54 g/mol
Exact Mass417.16
IUPAC NameN-[1-(4-methylphenyl)-1-(1,2,4-triazol-1-yl)butan-2-yl]-2-phenyl-1,3-thiazole-5-carboxamide
SMILESCCC(NC(=O)c1cnc(-c2ccccc2)s1)C(c1ccc(C)cc1)n1cncn1
InChIInChI=1S/C23H23N5OS/c1-3-19(21(28-15-24-14-26-28)17-11-9-16(2)10-12-17)27-22(29)20-13-25-23(30-20)18-7-5-4-6-8-18/h4-15,19,21H,3H2,1-2H3,(H,27,29)
InChIKeyWJKZLWVLLLYYAT-UHFFFAOYSA-N
XLogP4.51
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.54
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[1-(4-methylphenyl)-1-(1,2,4-triazol-1-yl)butan-2-yl]-2-phenyl-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-[1-(4-methylphenyl)-1-(1,2,4-triazol-1-yl)butan-2-yl]-2-phenyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[1-(4-methylphenyl)-1-(1,2,4-triazol-1-yl)butan-2-yl]-2-phenyl-1,3-thiazole-5-carboxamide (CID 71909332) is N-[1-(4-methylphenyl)-1-(1,2,4-triazol-1-yl)butan-2-yl]-2-phenyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[1-(4-methylphenyl)-1-(1,2,4-triazol-1-yl)butan-2-yl]-2-phenyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[1-(4-methylphenyl)-1-(1,2,4-triazol-1-yl)butan-2-yl]-2-phenyl-1,3-thiazole-5-carboxamide is CCC(NC(=O)c1cnc(-c2ccccc2)s1)C(c1ccc(C)cc1)n1cncn1.
What is the InChIKey of N-[1-(4-methylphenyl)-1-(1,2,4-triazol-1-yl)butan-2-yl]-2-phenyl-1,3-thiazole-5-carboxamide?
The InChIKey is WJKZLWVLLLYYAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5OS/c1-3-19(21(28-15-24-14-26-28)17-11-9-16(2)10-12-17)27-22(29)20-13-25-23(30-20)18-7-5-4-6-8-18/h4-15,19,21H,3H2,1-2H3,(H,27,29).
What are the key properties of N-[1-(4-methylphenyl)-1-(1,2,4-triazol-1-yl)butan-2-yl]-2-phenyl-1,3-thiazole-5-carboxamide?
N-[1-(4-methylphenyl)-1-(1,2,4-triazol-1-yl)butan-2-yl]-2-phenyl-1,3-thiazole-5-carboxamide has a molecular weight of 417.54 g/mol, XLogP of 4.51, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methylphenyl)-1-(1,2,4-triazol-1-yl)butan-2-yl]-2-phenyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 71909332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).