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

C24H22N2O2S — CID 3524855

IUPAC3-butoxy-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)benzamide
SMILESCCCCOc1cccc(C(=O)Nc2nc(-c3ccc4ccccc4c3)cs2)c1
InChIInChI=1S/C24H22N2O2S/c1-2-3-13-28-21-10-6-9-20(15-21)23(27)26-24-25-22(16-29-24)19-12-11-17-7-4-5-8-18(17)14-19/h4-12,14-16H,2-3,13H2,1H3,(H,25,26,27)
InChIKeyKOOWFEMHGXINLW-UHFFFAOYSA-N
MW402.52 g/mol
LogP6.39
Rot. Bonds7

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

3-butoxy-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)benzamide (PubChem CID 3524855) has the molecular formula C24H22N2O2S and a molecular weight of 402.52 g/mol. Its IUPAC name is 3-butoxy-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name3-butoxy-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)benzamide
PubChem CID3524855
Molecular FormulaC24H22N2O2S
Molecular Weight402.52 g/mol
Exact Mass402.14
IUPAC Name3-butoxy-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)benzamide
SMILESCCCCOc1cccc(C(=O)Nc2nc(-c3ccc4ccccc4c3)cs2)c1
InChIInChI=1S/C24H22N2O2S/c1-2-3-13-28-21-10-6-9-20(15-21)23(27)26-24-25-22(16-29-24)19-12-11-17-7-4-5-8-18(17)14-19/h4-12,14-16H,2-3,13H2,1H3,(H,25,26,27)
InChIKeyKOOWFEMHGXINLW-UHFFFAOYSA-N
XLogP6.39
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.52
LogP ≤ 56.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-butoxy-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)benzamide 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

3-pentoxy-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 4686613
N-[4-(4-butoxyphenyl)-1,3-thiazol-2-yl]-3-methoxybenzamide
CID 19195208
N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]-3-pentoxybenzamide
CID 4646219
3-butoxy-N-[(4-phenyl-1,3-thiazol-2-yl)carbamothioyl]benzamide
CID 2283270
3-ethoxy-N-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)carbamothioyl]benzamide
CID 5229607
butyl N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)carbamate
CID 108733444
N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)naphthalene-2-carboxamide
CID 7917223
3-ethylsulfanyl-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)benzamide
CID 41028556
1-N,4-N-bis(4-naphthalen-2-yl-1,3-thiazol-2-yl)benzene-1,4-dicarboxamide
CID 5130675
3,4,5-triethoxy-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)benzamide
CID 5147525
4-butoxy-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]benzamide
CID 3302590
4-pentoxy-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 4114659

Frequently Asked Questions

What is the IUPAC name of 3-butoxy-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 3-butoxy-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)benzamide (CID 3524855) is 3-butoxy-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 3-butoxy-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 3-butoxy-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)benzamide is CCCCOc1cccc(C(=O)Nc2nc(-c3ccc4ccccc4c3)cs2)c1.
What is the InChIKey of 3-butoxy-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)benzamide?
The InChIKey is KOOWFEMHGXINLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O2S/c1-2-3-13-28-21-10-6-9-20(15-21)23(27)26-24-25-22(16-29-24)19-12-11-17-7-4-5-8-18(17)14-19/h4-12,14-16H,2-3,13H2,1H3,(H,25,26,27).
What are the key properties of 3-butoxy-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)benzamide?
3-butoxy-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)benzamide has a molecular weight of 402.52 g/mol, XLogP of 6.39, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butoxy-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 3524855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).