N'-hydroxy-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]octanediamide

C17H20N4O5S — CID 16733411

IUPACN'-hydroxy-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]octanediamide
SMILESO=C(CCCCCCC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)NO
InChIInChI=1S/C17H20N4O5S/c22-15(8-3-1-2-4-9-16(23)20-24)19-17-18-14(11-27-17)12-6-5-7-13(10-12)21(25)26/h5-7,10-11,24H,1-4,8-9H2,(H,20,23)(H,18,19,22)
InChIKeyLJFNWCGSOPRFNA-UHFFFAOYSA-N
MW392.44 g/mol
LogP3.50
Rot. Bonds10

About N'-hydroxy-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]octanediamide

N'-hydroxy-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]octanediamide (PubChem CID 16733411) has the molecular formula C17H20N4O5S and a molecular weight of 392.44 g/mol. Its IUPAC name is N'-hydroxy-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]octanediamide.

Molecular Properties

Compound NameN'-hydroxy-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]octanediamide
PubChem CID16733411
Molecular FormulaC17H20N4O5S
Molecular Weight392.44 g/mol
Exact Mass392.12
IUPAC NameN'-hydroxy-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]octanediamide
SMILESO=C(CCCCCCC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)NO
InChIInChI=1S/C17H20N4O5S/c22-15(8-3-1-2-4-9-16(23)20-24)19-17-18-14(11-27-17)12-6-5-7-13(10-12)21(25)26/h5-7,10-11,24H,1-4,8-9H2,(H,20,23)(H,18,19,22)
InChIKeyLJFNWCGSOPRFNA-UHFFFAOYSA-N
XLogP3.50
TPSA134.46 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.44
LogP ≤ 53.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N'-hydroxy-N-[4-(3-nitrophenyl)-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-(3-nitrophenyl)-1,3-thiazol-2-yl]octanediamide?
The IUPAC name of N'-hydroxy-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]octanediamide (CID 16733411) is N'-hydroxy-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]octanediamide.
What is the SMILES notation for N'-hydroxy-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]octanediamide?
The canonical SMILES for N'-hydroxy-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]octanediamide is O=C(CCCCCCC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)NO.
What is the InChIKey of N'-hydroxy-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]octanediamide?
The InChIKey is LJFNWCGSOPRFNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O5S/c22-15(8-3-1-2-4-9-16(23)20-24)19-17-18-14(11-27-17)12-6-5-7-13(10-12)21(25)26/h5-7,10-11,24H,1-4,8-9H2,(H,20,23)(H,18,19,22).
What are the key properties of N'-hydroxy-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]octanediamide?
N'-hydroxy-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]octanediamide has a molecular weight of 392.44 g/mol, XLogP of 3.50, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]octanediamide is sourced from PubChem (CID 16733411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).