N-(4-phenyl-1,3-thiazol-2-yl)dodecanamide

C21H30N2OS — CID 3054676

IUPACN-(4-phenyl-1,3-thiazol-2-yl)dodecanamide
SMILESCCCCCCCCCCCC(=O)Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C21H30N2OS/c1-2-3-4-5-6-7-8-9-13-16-20(24)23-21-22-19(17-25-21)18-14-11-10-12-15-18/h10-12,14-15,17H,2-9,13,16H2,1H3,(H,22,23,24)
InChIKeyRJSLGEHCGWLDGI-UHFFFAOYSA-N
MW358.55 g/mol
LogP6.67
Rot. Bonds12

About N-(4-phenyl-1,3-thiazol-2-yl)dodecanamide

N-(4-phenyl-1,3-thiazol-2-yl)dodecanamide (PubChem CID 3054676) has the molecular formula C21H30N2OS and a molecular weight of 358.55 g/mol. Its IUPAC name is N-(4-phenyl-1,3-thiazol-2-yl)dodecanamide.

Molecular Properties

Compound NameN-(4-phenyl-1,3-thiazol-2-yl)dodecanamide
PubChem CID3054676
Molecular FormulaC21H30N2OS
Molecular Weight358.55 g/mol
Exact Mass358.21
IUPAC NameN-(4-phenyl-1,3-thiazol-2-yl)dodecanamide
SMILESCCCCCCCCCCCC(=O)Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C21H30N2OS/c1-2-3-4-5-6-7-8-9-13-16-20(24)23-21-22-19(17-25-21)18-14-11-10-12-15-18/h10-12,14-15,17H,2-9,13,16H2,1H3,(H,22,23,24)
InChIKeyRJSLGEHCGWLDGI-UHFFFAOYSA-N
XLogP6.67
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.55
LogP ≤ 56.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-Phenyl-N-(2-phenylethyl)-2-thiazolamine
CID 54339
2-Amino-4-phenylthiazole
CID 40302
2-Amino-4-phenylthiazole hydrobromide monohydrate
CID 40301
N-cyclohexyl-4-phenyl-1,3-thiazol-2-amine
CID 2447522
4-Methyl-N-(4-phenyl-2-thiazolyl)benzamide
CID 577347
4-Chloro-N-(4-phenyl-thiazol-2-yl)-benzamide
CID 697415
N-(4-Phenyl-thiazol-2-yl)-benzamide
CID 746475
3-Chloro-N-(4-phenyl-thiazol-2-yl)-benzamide
CID 754492
N-(4-methylthiazol-2-yl)benzamide
CID 695178
T0400-1499
CID 1549394
H3B-120
CID 132355378
TJ-M2010-5
CID 71542350

Frequently Asked Questions

What is the IUPAC name of N-(4-phenyl-1,3-thiazol-2-yl)dodecanamide?
The IUPAC name of N-(4-phenyl-1,3-thiazol-2-yl)dodecanamide (CID 3054676) is N-(4-phenyl-1,3-thiazol-2-yl)dodecanamide.
What is the SMILES notation for N-(4-phenyl-1,3-thiazol-2-yl)dodecanamide?
The canonical SMILES for N-(4-phenyl-1,3-thiazol-2-yl)dodecanamide is CCCCCCCCCCCC(=O)Nc1nc(-c2ccccc2)cs1.
What is the InChIKey of N-(4-phenyl-1,3-thiazol-2-yl)dodecanamide?
The InChIKey is RJSLGEHCGWLDGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2OS/c1-2-3-4-5-6-7-8-9-13-16-20(24)23-21-22-19(17-25-21)18-14-11-10-12-15-18/h10-12,14-15,17H,2-9,13,16H2,1H3,(H,22,23,24).
What are the key properties of N-(4-phenyl-1,3-thiazol-2-yl)dodecanamide?
N-(4-phenyl-1,3-thiazol-2-yl)dodecanamide has a molecular weight of 358.55 g/mol, XLogP of 6.67, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenyl-1,3-thiazol-2-yl)dodecanamide is sourced from PubChem (CID 3054676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).