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

C17H19F2N3O3S — CID 166627873

IUPAC2-(3,5-difluorophenyl)-N-[7-(hydroxyamino)-7-oxoheptyl]-1,3-thiazole-5-carboxamide
SMILESO=C(CCCCCCNC(=O)c1cnc(-c2cc(F)cc(F)c2)s1)NO
InChIInChI=1S/C17H19F2N3O3S/c18-12-7-11(8-13(19)9-12)17-21-10-14(26-17)16(24)20-6-4-2-1-3-5-15(23)22-25/h7-10,25H,1-6H2,(H,20,24)(H,22,23)
InChIKeyDQWPXWKJZMUQCX-UHFFFAOYSA-N
MW383.42 g/mol
LogP3.27
Rot. Bonds9

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

2-(3,5-difluorophenyl)-N-[7-(hydroxyamino)-7-oxoheptyl]-1,3-thiazole-5-carboxamide (PubChem CID 166627873) has the molecular formula C17H19F2N3O3S and a molecular weight of 383.42 g/mol. Its IUPAC name is 2-(3,5-difluorophenyl)-N-[7-(hydroxyamino)-7-oxoheptyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(3,5-difluorophenyl)-N-[7-(hydroxyamino)-7-oxoheptyl]-1,3-thiazole-5-carboxamide
PubChem CID166627873
Molecular FormulaC17H19F2N3O3S
Molecular Weight383.42 g/mol
Exact Mass383.11
IUPAC Name2-(3,5-difluorophenyl)-N-[7-(hydroxyamino)-7-oxoheptyl]-1,3-thiazole-5-carboxamide
SMILESO=C(CCCCCCNC(=O)c1cnc(-c2cc(F)cc(F)c2)s1)NO
InChIInChI=1S/C17H19F2N3O3S/c18-12-7-11(8-13(19)9-12)17-21-10-14(26-17)16(24)20-6-4-2-1-3-5-15(23)22-25/h7-10,25H,1-6H2,(H,20,24)(H,22,23)
InChIKeyDQWPXWKJZMUQCX-UHFFFAOYSA-N
XLogP3.27
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.42
LogP ≤ 53.27
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 2-(3,5-difluorophenyl)-N-[7-(hydroxyamino)-7-oxoheptyl]-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 2-(3,5-difluorophenyl)-N-[7-(hydroxyamino)-7-oxoheptyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(3,5-difluorophenyl)-N-[7-(hydroxyamino)-7-oxoheptyl]-1,3-thiazole-5-carboxamide (CID 166627873) is 2-(3,5-difluorophenyl)-N-[7-(hydroxyamino)-7-oxoheptyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(3,5-difluorophenyl)-N-[7-(hydroxyamino)-7-oxoheptyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(3,5-difluorophenyl)-N-[7-(hydroxyamino)-7-oxoheptyl]-1,3-thiazole-5-carboxamide is O=C(CCCCCCNC(=O)c1cnc(-c2cc(F)cc(F)c2)s1)NO.
What is the InChIKey of 2-(3,5-difluorophenyl)-N-[7-(hydroxyamino)-7-oxoheptyl]-1,3-thiazole-5-carboxamide?
The InChIKey is DQWPXWKJZMUQCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2N3O3S/c18-12-7-11(8-13(19)9-12)17-21-10-14(26-17)16(24)20-6-4-2-1-3-5-15(23)22-25/h7-10,25H,1-6H2,(H,20,24)(H,22,23).
What are the key properties of 2-(3,5-difluorophenyl)-N-[7-(hydroxyamino)-7-oxoheptyl]-1,3-thiazole-5-carboxamide?
2-(3,5-difluorophenyl)-N-[7-(hydroxyamino)-7-oxoheptyl]-1,3-thiazole-5-carboxamide has a molecular weight of 383.42 g/mol, XLogP of 3.27, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-difluorophenyl)-N-[7-(hydroxyamino)-7-oxoheptyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 166627873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).