N-(5-benzyl-1,3-thiazol-2-yl)-2-phenylbutanamide

C20H20N2OS — CID 58033083

IUPACN-(5-benzyl-1,3-thiazol-2-yl)-2-phenylbutanamide
SMILESCCC(C(=O)Nc1ncc(Cc2ccccc2)s1)c1ccccc1
InChIInChI=1S/C20H20N2OS/c1-2-18(16-11-7-4-8-12-16)19(23)22-20-21-14-17(24-20)13-15-9-5-3-6-10-15/h3-12,14,18H,2,13H2,1H3,(H,21,22,23)
InChIKeyALDKBQQXFSDEPX-UHFFFAOYSA-N
MW336.46 g/mol
LogP4.87
Rot. Bonds6

About N-(5-benzyl-1,3-thiazol-2-yl)-2-phenylbutanamide

N-(5-benzyl-1,3-thiazol-2-yl)-2-phenylbutanamide (PubChem CID 58033083) has the molecular formula C20H20N2OS and a molecular weight of 336.46 g/mol. Its IUPAC name is N-(5-benzyl-1,3-thiazol-2-yl)-2-phenylbutanamide.

Molecular Properties

Compound NameN-(5-benzyl-1,3-thiazol-2-yl)-2-phenylbutanamide
PubChem CID58033083
Molecular FormulaC20H20N2OS
Molecular Weight336.46 g/mol
Exact Mass336.13
IUPAC NameN-(5-benzyl-1,3-thiazol-2-yl)-2-phenylbutanamide
SMILESCCC(C(=O)Nc1ncc(Cc2ccccc2)s1)c1ccccc1
InChIInChI=1S/C20H20N2OS/c1-2-18(16-11-7-4-8-12-16)19(23)22-20-21-14-17(24-20)13-15-9-5-3-6-10-15/h3-12,14,18H,2,13H2,1H3,(H,21,22,23)
InChIKeyALDKBQQXFSDEPX-UHFFFAOYSA-N
XLogP4.87
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-phenylbutanamide
CID 58033052
N-(5-bromo-1,3-thiazol-2-yl)-2-phenylbutanamide
CID 54917989
(2S)-2-amino-N-(5-benzyl-1,3-thiazol-2-yl)-3-methylbutanamide
CID 119270246
N-(5-cyano-1,3-thiazol-2-yl)-2-phenylbutanamide
CID 90603621
N-(5-benzyl-1,3-thiazol-2-yl)-2-phenoxypropanamide
CID 2988067
N-(5-benzyl-1,3-thiazol-2-yl)-2-(2-methoxyphenoxy)butanamide
CID 17034116
N-(5-benzyl-1,3-thiazol-2-yl)-2-(3,5-dimethylphenoxy)butanamide
CID 17034463
2-chloro-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-phenylacetamide
CID 4969220
2-bromo-N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-3-phenylpropanamide
CID 17015927
(2S)-2-amino-N-(5-benzyl-1,3-thiazol-2-yl)-4-methylsulfanylbutanamide;hydrochloride
CID 119270233
4-amino-N-(5-benzyl-1,3-thiazol-2-yl)pentanamide;hydrochloride
CID 120559194
4-[(5-benzyl-1,3-thiazol-2-yl)amino]-4-oxobutanoic acid
CID 27407164

Frequently Asked Questions

What is the IUPAC name of N-(5-benzyl-1,3-thiazol-2-yl)-2-phenylbutanamide?
The IUPAC name of N-(5-benzyl-1,3-thiazol-2-yl)-2-phenylbutanamide (CID 58033083) is N-(5-benzyl-1,3-thiazol-2-yl)-2-phenylbutanamide.
What is the SMILES notation for N-(5-benzyl-1,3-thiazol-2-yl)-2-phenylbutanamide?
The canonical SMILES for N-(5-benzyl-1,3-thiazol-2-yl)-2-phenylbutanamide is CCC(C(=O)Nc1ncc(Cc2ccccc2)s1)c1ccccc1.
What is the InChIKey of N-(5-benzyl-1,3-thiazol-2-yl)-2-phenylbutanamide?
The InChIKey is ALDKBQQXFSDEPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2OS/c1-2-18(16-11-7-4-8-12-16)19(23)22-20-21-14-17(24-20)13-15-9-5-3-6-10-15/h3-12,14,18H,2,13H2,1H3,(H,21,22,23).
What are the key properties of N-(5-benzyl-1,3-thiazol-2-yl)-2-phenylbutanamide?
N-(5-benzyl-1,3-thiazol-2-yl)-2-phenylbutanamide has a molecular weight of 336.46 g/mol, XLogP of 4.87, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-benzyl-1,3-thiazol-2-yl)-2-phenylbutanamide is sourced from PubChem (CID 58033083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).