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

C17H21N3O3S — CID 10383069

IUPACN'-hydroxy-N-(4-phenyl-1,3-thiazol-2-yl)octanediamide
SMILESO=C(CCCCCCC(=O)Nc1nc(-c2ccccc2)cs1)NO
InChIInChI=1S/C17H21N3O3S/c21-15(10-6-1-2-7-11-16(22)20-23)19-17-18-14(12-24-17)13-8-4-3-5-9-13/h3-5,8-9,12,23H,1-2,6-7,10-11H2,(H,20,22)(H,18,19,21)
InChIKeyBDTAPZUZFJRPNM-UHFFFAOYSA-N
MW347.44 g/mol
LogP3.59
Rot. Bonds9

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

N'-hydroxy-N-(4-phenyl-1,3-thiazol-2-yl)octanediamide (PubChem CID 10383069) has the molecular formula C17H21N3O3S and a molecular weight of 347.44 g/mol. Its IUPAC name is N'-hydroxy-N-(4-phenyl-1,3-thiazol-2-yl)octanediamide.

Molecular Properties

Compound NameN'-hydroxy-N-(4-phenyl-1,3-thiazol-2-yl)octanediamide
PubChem CID10383069
Molecular FormulaC17H21N3O3S
Molecular Weight347.44 g/mol
Exact Mass347.13
IUPAC NameN'-hydroxy-N-(4-phenyl-1,3-thiazol-2-yl)octanediamide
SMILESO=C(CCCCCCC(=O)Nc1nc(-c2ccccc2)cs1)NO
InChIInChI=1S/C17H21N3O3S/c21-15(10-6-1-2-7-11-16(22)20-23)19-17-18-14(12-24-17)13-8-4-3-5-9-13/h3-5,8-9,12,23H,1-2,6-7,10-11H2,(H,20,22)(H,18,19,21)
InChIKeyBDTAPZUZFJRPNM-UHFFFAOYSA-N
XLogP3.59
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 53.59
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

4-Methyl-N-(4-phenyl-2-thiazolyl)benzamide
CID 577347
N-(4-Phenyl-thiazol-2-yl)-benzamide
CID 746475
N-(4-methylthiazol-2-yl)benzamide
CID 695178
T0400-1499
CID 1549394
Butanoic acid, 4-oxo-4-((4-phenyl-2-thiazolyl)amino)-
CID 804919
2-Cinnamamido-4-phenylthiazole
CID 690181
4-nitro-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 718622
N-(4-Phenyl-1,3-thiazol-2-yl)-7-sulfanyl-heptanamide
CID 11427204
(2S)-2-[(1-methylpiperidin-2-yl)formamido]-8-oxo-N-(4-phenyl-1,3-thiazol-2-yl)nonanamide
CID 16036765
4-tert-butyl-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 824266
N1-(4-(3-aminophenyl)thiazol-2-yl)-N8-hydroxyoctanediamide
CID 24178404
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-(4-fluorophenyl)acetamide
CID 871637

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-N-(4-phenyl-1,3-thiazol-2-yl)octanediamide?
The IUPAC name of N'-hydroxy-N-(4-phenyl-1,3-thiazol-2-yl)octanediamide (CID 10383069) is N'-hydroxy-N-(4-phenyl-1,3-thiazol-2-yl)octanediamide.
What is the SMILES notation for N'-hydroxy-N-(4-phenyl-1,3-thiazol-2-yl)octanediamide?
The canonical SMILES for N'-hydroxy-N-(4-phenyl-1,3-thiazol-2-yl)octanediamide is O=C(CCCCCCC(=O)Nc1nc(-c2ccccc2)cs1)NO.
What is the InChIKey of N'-hydroxy-N-(4-phenyl-1,3-thiazol-2-yl)octanediamide?
The InChIKey is BDTAPZUZFJRPNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3S/c21-15(10-6-1-2-7-11-16(22)20-23)19-17-18-14(12-24-17)13-8-4-3-5-9-13/h3-5,8-9,12,23H,1-2,6-7,10-11H2,(H,20,22)(H,18,19,21).
What are the key properties of N'-hydroxy-N-(4-phenyl-1,3-thiazol-2-yl)octanediamide?
N'-hydroxy-N-(4-phenyl-1,3-thiazol-2-yl)octanediamide has a molecular weight of 347.44 g/mol, XLogP of 3.59, 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-phenyl-1,3-thiazol-2-yl)octanediamide is sourced from PubChem (CID 10383069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).