2-(2-amino-4-phenyl-1,3-thiazol-5-yl)-N,N-dibenzylacetamide

C25H23N3OS — CID 11569500

IUPAC2-(2-amino-4-phenyl-1,3-thiazol-5-yl)-N,N-dibenzylacetamide
SMILESNc1nc(-c2ccccc2)c(CC(=O)N(Cc2ccccc2)Cc2ccccc2)s1
InChIInChI=1S/C25H23N3OS/c26-25-27-24(21-14-8-3-9-15-21)22(30-25)16-23(29)28(17-19-10-4-1-5-11-19)18-20-12-6-2-7-13-20/h1-15H,16-18H2,(H2,26,27)
InChIKeyFLKPBIRLGFEFMA-UHFFFAOYSA-N
MW413.55 g/mol
LogP5.16
Rot. Bonds7

About 2-(2-amino-4-phenyl-1,3-thiazol-5-yl)-N,N-dibenzylacetamide

2-(2-amino-4-phenyl-1,3-thiazol-5-yl)-N,N-dibenzylacetamide (PubChem CID 11569500) has the molecular formula C25H23N3OS and a molecular weight of 413.55 g/mol. Its IUPAC name is 2-(2-amino-4-phenyl-1,3-thiazol-5-yl)-N,N-dibenzylacetamide.

Molecular Properties

Compound Name2-(2-amino-4-phenyl-1,3-thiazol-5-yl)-N,N-dibenzylacetamide
PubChem CID11569500
Molecular FormulaC25H23N3OS
Molecular Weight413.55 g/mol
Exact Mass413.16
IUPAC Name2-(2-amino-4-phenyl-1,3-thiazol-5-yl)-N,N-dibenzylacetamide
SMILESNc1nc(-c2ccccc2)c(CC(=O)N(Cc2ccccc2)Cc2ccccc2)s1
InChIInChI=1S/C25H23N3OS/c26-25-27-24(21-14-8-3-9-15-21)22(30-25)16-23(29)28(17-19-10-4-1-5-11-19)18-20-12-6-2-7-13-20/h1-15H,16-18H2,(H2,26,27)
InChIKeyFLKPBIRLGFEFMA-UHFFFAOYSA-N
XLogP5.16
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.55
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-benzyl-4-phenyl-1,3-thiazol-2-amine
CID 57476891
4-phenyl-5-(2-phenylethyl)-1,3-thiazol-2-amine
CID 88924616
N-[2-(dimethylamino)ethyl]-2-(2-methyl-4-phenyl-1,3-thiazol-5-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 46966362
5-pentyl-4-phenyl-1,3-thiazol-2-amine
CID 3356434
5-benzyl-4-(3-methylphenyl)-1,3-thiazol-2-amine
CID 82106454
2-amino-N,N-dibenzylacetamide
CID 11107897
[(2R,3S)-3-hydroxy-5-oxooxolan-2-yl]methyl 2-(2-amino-4-phenyl-1,3-thiazol-5-yl)acetate
CID 166358506
N,N-dibenzyl-2-naphthalen-2-ylacetamide
CID 16849652
N,N-diethyl-2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)acetamide
CID 110328872
2-amino-N-(4-ethylphenyl)-4-phenyl-1,3-thiazole-5-carboxamide
CID 39071376
N',N'-dibenzylbutanediamide
CID 101024490
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N,N-dibenzylacetamide
CID 8010924

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4-phenyl-1,3-thiazol-5-yl)-N,N-dibenzylacetamide?
The IUPAC name of 2-(2-amino-4-phenyl-1,3-thiazol-5-yl)-N,N-dibenzylacetamide (CID 11569500) is 2-(2-amino-4-phenyl-1,3-thiazol-5-yl)-N,N-dibenzylacetamide.
What is the SMILES notation for 2-(2-amino-4-phenyl-1,3-thiazol-5-yl)-N,N-dibenzylacetamide?
The canonical SMILES for 2-(2-amino-4-phenyl-1,3-thiazol-5-yl)-N,N-dibenzylacetamide is Nc1nc(-c2ccccc2)c(CC(=O)N(Cc2ccccc2)Cc2ccccc2)s1.
What is the InChIKey of 2-(2-amino-4-phenyl-1,3-thiazol-5-yl)-N,N-dibenzylacetamide?
The InChIKey is FLKPBIRLGFEFMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3OS/c26-25-27-24(21-14-8-3-9-15-21)22(30-25)16-23(29)28(17-19-10-4-1-5-11-19)18-20-12-6-2-7-13-20/h1-15H,16-18H2,(H2,26,27).
What are the key properties of 2-(2-amino-4-phenyl-1,3-thiazol-5-yl)-N,N-dibenzylacetamide?
2-(2-amino-4-phenyl-1,3-thiazol-5-yl)-N,N-dibenzylacetamide has a molecular weight of 413.55 g/mol, XLogP of 5.16, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4-phenyl-1,3-thiazol-5-yl)-N,N-dibenzylacetamide is sourced from PubChem (CID 11569500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).