2-(2,4-difluorophenyl)-N-[7-(hydroxyamino)-7-oxoheptyl]-1,3-thiazole-5-carboxamide

C17H19F2N3O3S — CID 166634315

IUPAC2-(2,4-difluorophenyl)-N-[7-(hydroxyamino)-7-oxoheptyl]-1,3-thiazole-5-carboxamide
SMILESO=C(CCCCCCNC(=O)c1cnc(-c2ccc(F)cc2F)s1)NO
InChIInChI=1S/C17H19F2N3O3S/c18-11-6-7-12(13(19)9-11)17-21-10-14(26-17)16(24)20-8-4-2-1-3-5-15(23)22-25/h6-7,9-10,25H,1-5,8H2,(H,20,24)(H,22,23)
InChIKeyTUMKIXMREHAXGK-UHFFFAOYSA-N
MW383.42 g/mol
LogP3.27
Rot. Bonds9

About 2-(2,4-difluorophenyl)-N-[7-(hydroxyamino)-7-oxoheptyl]-1,3-thiazole-5-carboxamide

2-(2,4-difluorophenyl)-N-[7-(hydroxyamino)-7-oxoheptyl]-1,3-thiazole-5-carboxamide (PubChem CID 166634315) has the molecular formula C17H19F2N3O3S and a molecular weight of 383.42 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-N-[7-(hydroxyamino)-7-oxoheptyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-N-[7-(hydroxyamino)-7-oxoheptyl]-1,3-thiazole-5-carboxamide
PubChem CID166634315
Molecular FormulaC17H19F2N3O3S
Molecular Weight383.42 g/mol
Exact Mass383.11
IUPAC Name2-(2,4-difluorophenyl)-N-[7-(hydroxyamino)-7-oxoheptyl]-1,3-thiazole-5-carboxamide
SMILESO=C(CCCCCCNC(=O)c1cnc(-c2ccc(F)cc2F)s1)NO
InChIInChI=1S/C17H19F2N3O3S/c18-11-6-7-12(13(19)9-11)17-21-10-14(26-17)16(24)20-8-4-2-1-3-5-15(23)22-25/h6-7,9-10,25H,1-5,8H2,(H,20,24)(H,22,23)
InChIKeyTUMKIXMREHAXGK-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'}

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Related Compounds

N-(2-fluorobenzyl)-3-{1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl}propanamide
CID 16192085
N-(3,4-difluorobenzyl)-3-{1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl}propanamide
CID 16192186
N-methyl-2-oxo-8-(2-phenyl-1,3-thiazol-5-yl)octanamide
CID 44349717
2-[(4-fluorophenyl)methyl-[7-(hydroxyamino)-7-oxoheptyl]amino]-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide
CID 145950607
N-[3-(azepan-1-yl)propyl]-2-phenyl-1,3-thiazole-5-carboxamide
CID 164613815
tert-butyl N-[4-[5-[[7-(hydroxyamino)-7-oxoheptyl]carbamoyl]-1,3-thiazol-2-yl]phenyl]carbamate
CID 166635519
2-(4-chlorophenyl)-N-[7-(hydroxyamino)-7-oxoheptyl]-1,3-thiazole-5-carboxamide
CID 166635755
(E)-3-[2-(2,4-difluorophenyl)-1,3-thiazol-5-yl]-N-hydroxyprop-2-enamide
CID 166636252
US9505736, (1S,2R,3S)-1-Fluoro-2-(2-(4-fluorophenyl)thiazol-5-yl)-N-hydroxy-3-phenylcyclopropanecarboxamide
CID 72950691
N-(3,4-difluorobenzyl)-3-[1-(1,3-thiazol-5-ylcarbonyl)piperidin-3-yl]propanamide
CID 16191726
N-(4-fluorophenyl)-2-[4-[(4-fluorophenyl)carbamoyl]phenyl]-1,3-thiazole-5-carboxamide
CID 156013017
N-[3-(3-methylpyrrolidin-1-yl)propyl]-2-phenyl-1,3-thiazole-5-carboxamide
CID 164609398

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)-N-[7-(hydroxyamino)-7-oxoheptyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(2,4-difluorophenyl)-N-[7-(hydroxyamino)-7-oxoheptyl]-1,3-thiazole-5-carboxamide (CID 166634315) is 2-(2,4-difluorophenyl)-N-[7-(hydroxyamino)-7-oxoheptyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(2,4-difluorophenyl)-N-[7-(hydroxyamino)-7-oxoheptyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(2,4-difluorophenyl)-N-[7-(hydroxyamino)-7-oxoheptyl]-1,3-thiazole-5-carboxamide is O=C(CCCCCCNC(=O)c1cnc(-c2ccc(F)cc2F)s1)NO.
What is the InChIKey of 2-(2,4-difluorophenyl)-N-[7-(hydroxyamino)-7-oxoheptyl]-1,3-thiazole-5-carboxamide?
The InChIKey is TUMKIXMREHAXGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2N3O3S/c18-11-6-7-12(13(19)9-11)17-21-10-14(26-17)16(24)20-8-4-2-1-3-5-15(23)22-25/h6-7,9-10,25H,1-5,8H2,(H,20,24)(H,22,23).
What are the key properties of 2-(2,4-difluorophenyl)-N-[7-(hydroxyamino)-7-oxoheptyl]-1,3-thiazole-5-carboxamide?
2-(2,4-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-(2,4-difluorophenyl)-N-[7-(hydroxyamino)-7-oxoheptyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 166634315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).