N'-hydroxy-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)octanediamide

C21H23N3O3S — CID 53326795

IUPACN'-hydroxy-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)octanediamide
SMILESO=C(CCCCCCC(=O)Nc1nc(-c2ccc3ccccc3c2)cs1)NO
InChIInChI=1S/C21H23N3O3S/c25-19(9-3-1-2-4-10-20(26)24-27)23-21-22-18(14-28-21)17-12-11-15-7-5-6-8-16(15)13-17/h5-8,11-14,27H,1-4,9-10H2,(H,24,26)(H,22,23,25)
InChIKeySAUNOYGZFCGZBS-UHFFFAOYSA-N
MW397.50 g/mol
LogP4.75
Rot. Bonds9

About N'-hydroxy-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)octanediamide

N'-hydroxy-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)octanediamide (PubChem CID 53326795) has the molecular formula C21H23N3O3S and a molecular weight of 397.50 g/mol. Its IUPAC name is N'-hydroxy-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)octanediamide.

Molecular Properties

Compound NameN'-hydroxy-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)octanediamide
PubChem CID53326795
Molecular FormulaC21H23N3O3S
Molecular Weight397.50 g/mol
Exact Mass397.15
IUPAC NameN'-hydroxy-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)octanediamide
SMILESO=C(CCCCCCC(=O)Nc1nc(-c2ccc3ccccc3c2)cs1)NO
InChIInChI=1S/C21H23N3O3S/c25-19(9-3-1-2-4-10-20(26)24-27)23-21-22-18(14-28-21)17-12-11-15-7-5-6-8-16(15)13-17/h5-8,11-14,27H,1-4,9-10H2,(H,24,26)(H,22,23,25)
InChIKeySAUNOYGZFCGZBS-UHFFFAOYSA-N
XLogP4.75
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 54.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N'-hydroxy-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)octanediamide 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'-hydroxy-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)octanediamide?
The IUPAC name of N'-hydroxy-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)octanediamide (CID 53326795) is N'-hydroxy-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)octanediamide.
What is the SMILES notation for N'-hydroxy-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)octanediamide?
The canonical SMILES for N'-hydroxy-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)octanediamide is O=C(CCCCCCC(=O)Nc1nc(-c2ccc3ccccc3c2)cs1)NO.
What is the InChIKey of N'-hydroxy-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)octanediamide?
The InChIKey is SAUNOYGZFCGZBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3S/c25-19(9-3-1-2-4-10-20(26)24-27)23-21-22-18(14-28-21)17-12-11-15-7-5-6-8-16(15)13-17/h5-8,11-14,27H,1-4,9-10H2,(H,24,26)(H,22,23,25).
What are the key properties of N'-hydroxy-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)octanediamide?
N'-hydroxy-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)octanediamide has a molecular weight of 397.50 g/mol, XLogP of 4.75, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)octanediamide is sourced from PubChem (CID 53326795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).