8-oxo-N-[(1S)-1-(4-phenyl-1,3-thiazol-2-yl)ethyl]nonanamide

C20H26N2O2S — CID 97089517

IUPAC8-oxo-N-[(1S)-1-(4-phenyl-1,3-thiazol-2-yl)ethyl]nonanamide
SMILESCC(=O)CCCCCCC(=O)N[C@@H](C)c1nc(-c2ccccc2)cs1
InChIInChI=1S/C20H26N2O2S/c1-15(23)10-6-3-4-9-13-19(24)21-16(2)20-22-18(14-25-20)17-11-7-5-8-12-17/h5,7-8,11-12,14,16H,3-4,6,9-10,13H2,1-2H3,(H,21,24)/t16-/m0/s1
InChIKeyWPHBKDDRLFMTAM-INIZCTEOSA-N
MW358.51 g/mol
LogP4.92
Rot. Bonds10

About 8-oxo-N-[(1S)-1-(4-phenyl-1,3-thiazol-2-yl)ethyl]nonanamide

8-oxo-N-[(1S)-1-(4-phenyl-1,3-thiazol-2-yl)ethyl]nonanamide (PubChem CID 97089517) has the molecular formula C20H26N2O2S and a molecular weight of 358.51 g/mol. Its IUPAC name is 8-oxo-N-[(1S)-1-(4-phenyl-1,3-thiazol-2-yl)ethyl]nonanamide.

Molecular Properties

Compound Name8-oxo-N-[(1S)-1-(4-phenyl-1,3-thiazol-2-yl)ethyl]nonanamide
PubChem CID97089517
Molecular FormulaC20H26N2O2S
Molecular Weight358.51 g/mol
Exact Mass358.17
IUPAC Name8-oxo-N-[(1S)-1-(4-phenyl-1,3-thiazol-2-yl)ethyl]nonanamide
SMILESCC(=O)CCCCCCC(=O)N[C@@H](C)c1nc(-c2ccccc2)cs1
InChIInChI=1S/C20H26N2O2S/c1-15(23)10-6-3-4-9-13-19(24)21-16(2)20-22-18(14-25-20)17-11-7-5-8-12-17/h5,7-8,11-12,14,16H,3-4,6,9-10,13H2,1-2H3,(H,21,24)/t16-/m0/s1
InChIKeyWPHBKDDRLFMTAM-INIZCTEOSA-N
XLogP4.92
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.51
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1,1-diethyl-3-[(1S)-1-(4-phenyl-1,3-thiazol-2-yl)ethyl]urea
CID 95760758
3-[methyl-[1-(4-phenyl-1,3-thiazol-2-yl)ethylcarbamoyl]amino]propanoic acid
CID 122001267
2-(cyclopropylmethylamino)-N-[1-(4-phenyl-1,3-thiazol-2-yl)ethyl]acetamide
CID 119778952
N-[1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]ethyl]-4-(methylamino)butanamide
CID 119812957
3-amino-2-methyl-N-[1-(4-phenyl-1,3-thiazol-2-yl)ethyl]butanamide
CID 120500624
2-(3,5-dimethylpyrazol-1-yl)-N-[(1R)-1-(4-phenyl-1,3-thiazol-2-yl)ethyl]acetamide
CID 95314518
2-[1-(4-phenyl-1,3-thiazol-2-yl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 119184553
4-[1-(4-phenyl-1,3-thiazol-2-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120673541
1-[(1R)-1-(4-phenyl-1,3-thiazol-2-yl)ethyl]-3-(pyridin-4-ylmethyl)urea
CID 95760159
N'-(4-phenyl-1,3-thiazol-2-yl)hexadecanehydrazide
CID 5068423
(2R)-2-(cyclopropylmethoxy)-N-[(1R)-1-(4-phenyl-1,3-thiazol-2-yl)ethyl]propanamide
CID 95291640
(E)-N-[(1R)-1-(4-phenyl-1,3-thiazol-2-yl)ethyl]-3-(1,3-thiazol-4-yl)prop-2-enamide
CID 95316902

Frequently Asked Questions

What is the IUPAC name of 8-oxo-N-[(1S)-1-(4-phenyl-1,3-thiazol-2-yl)ethyl]nonanamide?
The IUPAC name of 8-oxo-N-[(1S)-1-(4-phenyl-1,3-thiazol-2-yl)ethyl]nonanamide (CID 97089517) is 8-oxo-N-[(1S)-1-(4-phenyl-1,3-thiazol-2-yl)ethyl]nonanamide.
What is the SMILES notation for 8-oxo-N-[(1S)-1-(4-phenyl-1,3-thiazol-2-yl)ethyl]nonanamide?
The canonical SMILES for 8-oxo-N-[(1S)-1-(4-phenyl-1,3-thiazol-2-yl)ethyl]nonanamide is CC(=O)CCCCCCC(=O)N[C@@H](C)c1nc(-c2ccccc2)cs1.
What is the InChIKey of 8-oxo-N-[(1S)-1-(4-phenyl-1,3-thiazol-2-yl)ethyl]nonanamide?
The InChIKey is WPHBKDDRLFMTAM-INIZCTEOSA-N. The full InChI is InChI=1S/C20H26N2O2S/c1-15(23)10-6-3-4-9-13-19(24)21-16(2)20-22-18(14-25-20)17-11-7-5-8-12-17/h5,7-8,11-12,14,16H,3-4,6,9-10,13H2,1-2H3,(H,21,24)/t16-/m0/s1.
What are the key properties of 8-oxo-N-[(1S)-1-(4-phenyl-1,3-thiazol-2-yl)ethyl]nonanamide?
8-oxo-N-[(1S)-1-(4-phenyl-1,3-thiazol-2-yl)ethyl]nonanamide has a molecular weight of 358.51 g/mol, XLogP of 4.92, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-oxo-N-[(1S)-1-(4-phenyl-1,3-thiazol-2-yl)ethyl]nonanamide is sourced from PubChem (CID 97089517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).