N-[7-(hydroxyamino)-7-oxoheptyl]-2-(3-nitrophenyl)-1,3-thiazole-5-carboxamide

C17H20N4O5S — CID 166635745

IUPACN-[7-(hydroxyamino)-7-oxoheptyl]-2-(3-nitrophenyl)-1,3-thiazole-5-carboxamide
SMILESO=C(CCCCCCNC(=O)c1cnc(-c2cccc([N+](=O)[O-])c2)s1)NO
InChIInChI=1S/C17H20N4O5S/c22-15(20-24)8-3-1-2-4-9-18-16(23)14-11-19-17(27-14)12-6-5-7-13(10-12)21(25)26/h5-7,10-11,24H,1-4,8-9H2,(H,18,23)(H,20,22)
InChIKeyCJYKAHSQSPPHIF-UHFFFAOYSA-N
MW392.44 g/mol
LogP2.90
Rot. Bonds10

About N-[7-(hydroxyamino)-7-oxoheptyl]-2-(3-nitrophenyl)-1,3-thiazole-5-carboxamide

N-[7-(hydroxyamino)-7-oxoheptyl]-2-(3-nitrophenyl)-1,3-thiazole-5-carboxamide (PubChem CID 166635745) has the molecular formula C17H20N4O5S and a molecular weight of 392.44 g/mol. Its IUPAC name is N-[7-(hydroxyamino)-7-oxoheptyl]-2-(3-nitrophenyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[7-(hydroxyamino)-7-oxoheptyl]-2-(3-nitrophenyl)-1,3-thiazole-5-carboxamide
PubChem CID166635745
Molecular FormulaC17H20N4O5S
Molecular Weight392.44 g/mol
Exact Mass392.12
IUPAC NameN-[7-(hydroxyamino)-7-oxoheptyl]-2-(3-nitrophenyl)-1,3-thiazole-5-carboxamide
SMILESO=C(CCCCCCNC(=O)c1cnc(-c2cccc([N+](=O)[O-])c2)s1)NO
InChIInChI=1S/C17H20N4O5S/c22-15(20-24)8-3-1-2-4-9-18-16(23)14-11-19-17(27-14)12-6-5-7-13(10-12)21(25)26/h5-7,10-11,24H,1-4,8-9H2,(H,18,23)(H,20,22)
InChIKeyCJYKAHSQSPPHIF-UHFFFAOYSA-N
XLogP2.90
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 ≤ 52.90
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-[7-(hydroxyamino)-7-oxoheptyl]-2-(3-nitrophenyl)-1,3-thiazole-5-carboxamide 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-[7-(hydroxyamino)-7-oxoheptyl]-2-(3-nitrophenyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[7-(hydroxyamino)-7-oxoheptyl]-2-(3-nitrophenyl)-1,3-thiazole-5-carboxamide (CID 166635745) is N-[7-(hydroxyamino)-7-oxoheptyl]-2-(3-nitrophenyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[7-(hydroxyamino)-7-oxoheptyl]-2-(3-nitrophenyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[7-(hydroxyamino)-7-oxoheptyl]-2-(3-nitrophenyl)-1,3-thiazole-5-carboxamide is O=C(CCCCCCNC(=O)c1cnc(-c2cccc([N+](=O)[O-])c2)s1)NO.
What is the InChIKey of N-[7-(hydroxyamino)-7-oxoheptyl]-2-(3-nitrophenyl)-1,3-thiazole-5-carboxamide?
The InChIKey is CJYKAHSQSPPHIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O5S/c22-15(20-24)8-3-1-2-4-9-18-16(23)14-11-19-17(27-14)12-6-5-7-13(10-12)21(25)26/h5-7,10-11,24H,1-4,8-9H2,(H,18,23)(H,20,22).
What are the key properties of N-[7-(hydroxyamino)-7-oxoheptyl]-2-(3-nitrophenyl)-1,3-thiazole-5-carboxamide?
N-[7-(hydroxyamino)-7-oxoheptyl]-2-(3-nitrophenyl)-1,3-thiazole-5-carboxamide has a molecular weight of 392.44 g/mol, XLogP of 2.90, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(hydroxyamino)-7-oxoheptyl]-2-(3-nitrophenyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 166635745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).