(E)-9-(2-ethynyl-1,3-thiazol-4-yl)-N-hydroxynon-8-enamide

C14H18N2O2S — CID 171383213

IUPAC(E)-9-(2-ethynyl-1,3-thiazol-4-yl)-N-hydroxynon-8-enamide
SMILESC#Cc1nc(/C=C/CCCCCCC(=O)NO)cs1
InChIInChI=1S/C14H18N2O2S/c1-2-14-15-12(11-19-14)9-7-5-3-4-6-8-10-13(17)16-18/h1,7,9,11,18H,3-6,8,10H2,(H,16,17)/b9-7+
InChIKeyUSDBPPONNDQLEE-VQHVLOKHSA-N
MW278.38 g/mol
LogP2.98
Rot. Bonds8

About (E)-9-(2-ethynyl-1,3-thiazol-4-yl)-N-hydroxynon-8-enamide

(E)-9-(2-ethynyl-1,3-thiazol-4-yl)-N-hydroxynon-8-enamide (PubChem CID 171383213) has the molecular formula C14H18N2O2S and a molecular weight of 278.38 g/mol. Its IUPAC name is (E)-9-(2-ethynyl-1,3-thiazol-4-yl)-N-hydroxynon-8-enamide.

Molecular Properties

Compound Name(E)-9-(2-ethynyl-1,3-thiazol-4-yl)-N-hydroxynon-8-enamide
PubChem CID171383213
Molecular FormulaC14H18N2O2S
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC Name(E)-9-(2-ethynyl-1,3-thiazol-4-yl)-N-hydroxynon-8-enamide
SMILESC#Cc1nc(/C=C/CCCCCCC(=O)NO)cs1
InChIInChI=1S/C14H18N2O2S/c1-2-14-15-12(11-19-14)9-7-5-3-4-6-8-10-13(17)16-18/h1,7,9,11,18H,3-6,8,10H2,(H,16,17)/b9-7+
InChIKeyUSDBPPONNDQLEE-VQHVLOKHSA-N
XLogP2.98
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

(E)-8-(2-ethynyl-1,3-thiazol-4-yl)-N-(oxan-2-yloxy)oct-7-enamide
CID 171407278
(E)-N-hydroxy-7-quinolin-2-ylhept-6-enamide
CID 18979140
N-hydroxyhept-6-ynamide
CID 71623064
N,N'-bis(prop-2-ynyl)octadec-9-enediamide
CID 90949780
2,2,3,3-tetramethyl-18-(2-methyl-1,3-thiazol-4-yl)-7-prop-2-enyloctadeca-13,17-dien-6-one
CID 154164217
(Z)-N-(2-methylpropyl)-7-phenylhept-6-enamide
CID 70372311
N,N'-bis(prop-2-ynyl)icos-10-enediamide;ethane
CID 143956023
N,16-dihydroxyhexadecanamide
CID 87686064
13-(hydroxyamino)-13-oxotridecanoic acid
CID 21490419
26-(hydroxyamino)-26-oxohexacosanoic acid
CID 87686862
20-(hydroxyamino)-20-oxoicosanoic acid
CID 87685101
20-amino-N-hydroxyicosanamide
CID 87686702

Frequently Asked Questions

What is the IUPAC name of (E)-9-(2-ethynyl-1,3-thiazol-4-yl)-N-hydroxynon-8-enamide?
The IUPAC name of (E)-9-(2-ethynyl-1,3-thiazol-4-yl)-N-hydroxynon-8-enamide (CID 171383213) is (E)-9-(2-ethynyl-1,3-thiazol-4-yl)-N-hydroxynon-8-enamide.
What is the SMILES notation for (E)-9-(2-ethynyl-1,3-thiazol-4-yl)-N-hydroxynon-8-enamide?
The canonical SMILES for (E)-9-(2-ethynyl-1,3-thiazol-4-yl)-N-hydroxynon-8-enamide is C#Cc1nc(/C=C/CCCCCCC(=O)NO)cs1.
What is the InChIKey of (E)-9-(2-ethynyl-1,3-thiazol-4-yl)-N-hydroxynon-8-enamide?
The InChIKey is USDBPPONNDQLEE-VQHVLOKHSA-N. The full InChI is InChI=1S/C14H18N2O2S/c1-2-14-15-12(11-19-14)9-7-5-3-4-6-8-10-13(17)16-18/h1,7,9,11,18H,3-6,8,10H2,(H,16,17)/b9-7+.
What are the key properties of (E)-9-(2-ethynyl-1,3-thiazol-4-yl)-N-hydroxynon-8-enamide?
(E)-9-(2-ethynyl-1,3-thiazol-4-yl)-N-hydroxynon-8-enamide has a molecular weight of 278.38 g/mol, XLogP of 2.98, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-9-(2-ethynyl-1,3-thiazol-4-yl)-N-hydroxynon-8-enamide is sourced from PubChem (CID 171383213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).