2-[(2-phenyl-1,3-thiazol-4-yl)methyl]nonanamide

C19H26N2OS — CID 175903171

IUPAC2-[(2-phenyl-1,3-thiazol-4-yl)methyl]nonanamide
SMILESCCCCCCCC(Cc1csc(-c2ccccc2)n1)C(N)=O
InChIInChI=1S/C19H26N2OS/c1-2-3-4-5-7-12-16(18(20)22)13-17-14-23-19(21-17)15-10-8-6-9-11-15/h6,8-11,14,16H,2-5,7,12-13H2,1H3,(H2,20,22)
InChIKeyYYDOBSVRQOEERU-UHFFFAOYSA-N
MW330.50 g/mol
LogP4.81
Rot. Bonds10

About 2-[(2-phenyl-1,3-thiazol-4-yl)methyl]nonanamide

2-[(2-phenyl-1,3-thiazol-4-yl)methyl]nonanamide (PubChem CID 175903171) has the molecular formula C19H26N2OS and a molecular weight of 330.50 g/mol. Its IUPAC name is 2-[(2-phenyl-1,3-thiazol-4-yl)methyl]nonanamide.

Molecular Properties

Compound Name2-[(2-phenyl-1,3-thiazol-4-yl)methyl]nonanamide
PubChem CID175903171
Molecular FormulaC19H26N2OS
Molecular Weight330.50 g/mol
Exact Mass330.18
IUPAC Name2-[(2-phenyl-1,3-thiazol-4-yl)methyl]nonanamide
SMILESCCCCCCCC(Cc1csc(-c2ccccc2)n1)C(N)=O
InChIInChI=1S/C19H26N2OS/c1-2-3-4-5-7-12-16(18(20)22)13-17-14-23-19(21-17)15-10-8-6-9-11-15/h6,8-11,14,16H,2-5,7,12-13H2,1H3,(H2,20,22)
InChIKeyYYDOBSVRQOEERU-UHFFFAOYSA-N
XLogP4.81
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.50
LogP ≤ 54.81
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

2-[2-oxo-3-(2-phenyl-1,3-thiazol-4-yl)propyl]heptanoic acid
CID 148689231
1-(2-phenyl-1,3-thiazol-4-yl)propan-2-ol
CID 115089425
4-ethyl-2-phenyl-1,3-thiazole
CID 5324799
2-hexyl-1-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]guanidine
CID 111975713
ethane;4-ethyl-2-phenyl-1,3-thiazole
CID 91427044
(2S)-2-amino-3-methyl-3-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]butanoic acid
CID 106443200
(2S)-2-[(1-ethoxy-4-methyl-1-oxopentan-2-yl)amino]-3-(2-phenyl-1,3-thiazol-4-yl)propanoic acid
CID 142141679
N-octadecyl-2-phenyl-1,3-thiazole-4-carboxamide
CID 11259615
2-benzyldodecanoic acid
CID 14250629
2-hexyloctanamide
CID 87302701
2-dodecylnonadecanamide
CID 175503182
2-octyldecanamide
CID 19104479

Frequently Asked Questions

What is the IUPAC name of 2-[(2-phenyl-1,3-thiazol-4-yl)methyl]nonanamide?
The IUPAC name of 2-[(2-phenyl-1,3-thiazol-4-yl)methyl]nonanamide (CID 175903171) is 2-[(2-phenyl-1,3-thiazol-4-yl)methyl]nonanamide.
What is the SMILES notation for 2-[(2-phenyl-1,3-thiazol-4-yl)methyl]nonanamide?
The canonical SMILES for 2-[(2-phenyl-1,3-thiazol-4-yl)methyl]nonanamide is CCCCCCCC(Cc1csc(-c2ccccc2)n1)C(N)=O.
What is the InChIKey of 2-[(2-phenyl-1,3-thiazol-4-yl)methyl]nonanamide?
The InChIKey is YYDOBSVRQOEERU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2OS/c1-2-3-4-5-7-12-16(18(20)22)13-17-14-23-19(21-17)15-10-8-6-9-11-15/h6,8-11,14,16H,2-5,7,12-13H2,1H3,(H2,20,22).
What are the key properties of 2-[(2-phenyl-1,3-thiazol-4-yl)methyl]nonanamide?
2-[(2-phenyl-1,3-thiazol-4-yl)methyl]nonanamide has a molecular weight of 330.50 g/mol, XLogP of 4.81, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-phenyl-1,3-thiazol-4-yl)methyl]nonanamide is sourced from PubChem (CID 175903171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).