N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-phenylbutanamide

C20H20N2OS — CID 2978695

IUPACN-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-phenylbutanamide
SMILESCc1nc(-c2ccc(NC(=O)CCCc3ccccc3)cc2)cs1
InChIInChI=1S/C20H20N2OS/c1-15-21-19(14-24-15)17-10-12-18(13-11-17)22-20(23)9-5-8-16-6-3-2-4-7-16/h2-4,6-7,10-14H,5,8-9H2,1H3,(H,22,23)
InChIKeyUUKWJPLPDSBMFA-UHFFFAOYSA-N
MW336.46 g/mol
LogP5.08
Rot. Bonds6

About N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-phenylbutanamide

N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-phenylbutanamide (PubChem CID 2978695) has the molecular formula C20H20N2OS and a molecular weight of 336.46 g/mol. Its IUPAC name is N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-phenylbutanamide.

Molecular Properties

Compound NameN-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-phenylbutanamide
PubChem CID2978695
Molecular FormulaC20H20N2OS
Molecular Weight336.46 g/mol
Exact Mass336.13
IUPAC NameN-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-phenylbutanamide
SMILESCc1nc(-c2ccc(NC(=O)CCCc3ccccc3)cc2)cs1
InChIInChI=1S/C20H20N2OS/c1-15-21-19(14-24-15)17-10-12-18(13-11-17)22-20(23)9-5-8-16-6-3-2-4-7-16/h2-4,6-7,10-14H,5,8-9H2,1H3,(H,22,23)
InChIKeyUUKWJPLPDSBMFA-UHFFFAOYSA-N
XLogP5.08
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.46
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-phenylbutanamide 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-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-phenylbutanamide?
The IUPAC name of N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-phenylbutanamide (CID 2978695) is N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-phenylbutanamide.
What is the SMILES notation for N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-phenylbutanamide?
The canonical SMILES for N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-phenylbutanamide is Cc1nc(-c2ccc(NC(=O)CCCc3ccccc3)cc2)cs1.
What is the InChIKey of N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-phenylbutanamide?
The InChIKey is UUKWJPLPDSBMFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2OS/c1-15-21-19(14-24-15)17-10-12-18(13-11-17)22-20(23)9-5-8-16-6-3-2-4-7-16/h2-4,6-7,10-14H,5,8-9H2,1H3,(H,22,23).
What are the key properties of N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-phenylbutanamide?
N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-phenylbutanamide has a molecular weight of 336.46 g/mol, XLogP of 5.08, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-phenylbutanamide is sourced from PubChem (CID 2978695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).