N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-2-phenylbutanamide

C23H20N2OS — CID 5174437

IUPACN-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-2-phenylbutanamide
SMILESCCC(C(=O)Nc1nc(-c2ccc3ccccc3c2)cs1)c1ccccc1
InChIInChI=1S/C23H20N2OS/c1-2-20(17-9-4-3-5-10-17)22(26)25-23-24-21(15-27-23)19-13-12-16-8-6-7-11-18(16)14-19/h3-15,20H,2H2,1H3,(H,24,25,26)
InChIKeyFBPACNHWOXHBHW-UHFFFAOYSA-N
MW372.49 g/mol
LogP6.10
Rot. Bonds5

About N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-2-phenylbutanamide

N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-2-phenylbutanamide (PubChem CID 5174437) has the molecular formula C23H20N2OS and a molecular weight of 372.49 g/mol. Its IUPAC name is N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-2-phenylbutanamide.

Molecular Properties

Compound NameN-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-2-phenylbutanamide
PubChem CID5174437
Molecular FormulaC23H20N2OS
Molecular Weight372.49 g/mol
Exact Mass372.13
IUPAC NameN-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-2-phenylbutanamide
SMILESCCC(C(=O)Nc1nc(-c2ccc3ccccc3c2)cs1)c1ccccc1
InChIInChI=1S/C23H20N2OS/c1-2-20(17-9-4-3-5-10-17)22(26)25-23-24-21(15-27-23)19-13-12-16-8-6-7-11-18(16)14-19/h3-15,20H,2H2,1H3,(H,24,25,26)
InChIKeyFBPACNHWOXHBHW-UHFFFAOYSA-N
XLogP6.10
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.49
LogP ≤ 56.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-2-phenylbutanamide with MolForge

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

Launch Full Analysis

Related Compounds

2-ethyl-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)butanamide
CID 110441776
(2R)-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-phenylbutanamide
CID 40538784
(2S)-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-phenylbutanamide
CID 1291176
(2S)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-2-phenoxybutanamide
CID 40538671
(2S)-2-phenyl-N-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]butanamide
CID 35542167
(2S)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-phenylbutanamide
CID 7366669
(2R)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-phenylbutanamide
CID 7366238
2-chloro-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)acetamide
CID 3513866
1-N,4-N-bis(4-naphthalen-2-yl-1,3-thiazol-2-yl)benzene-1,4-dicarboxamide
CID 5130675
N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-2-phenoxyacetamide
CID 3647343
N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-2-phenylbutanamide
CID 64556453
N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)octadecanamide
CID 108733431

Frequently Asked Questions

What is the IUPAC name of N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-2-phenylbutanamide?
The IUPAC name of N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-2-phenylbutanamide (CID 5174437) is N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-2-phenylbutanamide.
What is the SMILES notation for N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-2-phenylbutanamide?
The canonical SMILES for N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-2-phenylbutanamide is CCC(C(=O)Nc1nc(-c2ccc3ccccc3c2)cs1)c1ccccc1.
What is the InChIKey of N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-2-phenylbutanamide?
The InChIKey is FBPACNHWOXHBHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2OS/c1-2-20(17-9-4-3-5-10-17)22(26)25-23-24-21(15-27-23)19-13-12-16-8-6-7-11-18(16)14-19/h3-15,20H,2H2,1H3,(H,24,25,26).
What are the key properties of N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-2-phenylbutanamide?
N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-2-phenylbutanamide has a molecular weight of 372.49 g/mol, XLogP of 6.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-2-phenylbutanamide is sourced from PubChem (CID 5174437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).