N-benzyl-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-N-phenylacetamide

C25H22N2OS — CID 18209419

IUPACN-benzyl-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-N-phenylacetamide
SMILESCc1ccc(-c2nc(CC(=O)N(Cc3ccccc3)c3ccccc3)cs2)cc1
InChIInChI=1S/C25H22N2OS/c1-19-12-14-21(15-13-19)25-26-22(18-29-25)16-24(28)27(23-10-6-3-7-11-23)17-20-8-4-2-5-9-20/h2-15,18H,16-17H2,1H3
InChIKeyYHMRARSBZDGOIP-UHFFFAOYSA-N
MW398.53 g/mol
LogP5.89
Rot. Bonds6

About N-benzyl-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-N-phenylacetamide

N-benzyl-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-N-phenylacetamide (PubChem CID 18209419) has the molecular formula C25H22N2OS and a molecular weight of 398.53 g/mol. Its IUPAC name is N-benzyl-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-N-phenylacetamide.

Molecular Properties

Compound NameN-benzyl-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-N-phenylacetamide
PubChem CID18209419
Molecular FormulaC25H22N2OS
Molecular Weight398.53 g/mol
Exact Mass398.15
IUPAC NameN-benzyl-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-N-phenylacetamide
SMILESCc1ccc(-c2nc(CC(=O)N(Cc3ccccc3)c3ccccc3)cs2)cc1
InChIInChI=1S/C25H22N2OS/c1-19-12-14-21(15-13-19)25-26-22(18-29-25)16-24(28)27(23-10-6-3-7-11-23)17-20-8-4-2-5-9-20/h2-15,18H,16-17H2,1H3
InChIKeyYHMRARSBZDGOIP-UHFFFAOYSA-N
XLogP5.89
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.53
LogP ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-aminopropyl)-N-benzyl-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide;dihydrochloride
CID 120648388
N-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]-2-phenylacetamide
CID 6467576
2-[2-[4-[[benzyl(methyl)amino]methyl]phenyl]-1,3-thiazol-4-yl]acetic acid
CID 39159753
N-benzyl-2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-N-propan-2-ylacetamide
CID 24609866
N-[(3-chlorophenyl)methyl]-N-ethyl-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 55594311
2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-phenyl-N-propan-2-ylacetamide
CID 52663114
[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 2-phenylacetate
CID 55319347
N-benzyl-2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-N-phenylacetamide
CID 86855956
(2S)-2-benzyl-5-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-4-oxopentanoic acid
CID 158161586
N-benzyl-N-(2-methoxyethyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 99152320
N-(furan-2-ylmethyl)-2-(4-methylphenyl)-N-phenyl-1,3-thiazole-4-carboxamide
CID 18273783
N-benzyl-2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-phenylacetamide
CID 110425470

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-N-phenylacetamide?
The IUPAC name of N-benzyl-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-N-phenylacetamide (CID 18209419) is N-benzyl-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-N-phenylacetamide.
What is the SMILES notation for N-benzyl-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-N-phenylacetamide?
The canonical SMILES for N-benzyl-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-N-phenylacetamide is Cc1ccc(-c2nc(CC(=O)N(Cc3ccccc3)c3ccccc3)cs2)cc1.
What is the InChIKey of N-benzyl-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-N-phenylacetamide?
The InChIKey is YHMRARSBZDGOIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2OS/c1-19-12-14-21(15-13-19)25-26-22(18-29-25)16-24(28)27(23-10-6-3-7-11-23)17-20-8-4-2-5-9-20/h2-15,18H,16-17H2,1H3.
What are the key properties of N-benzyl-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-N-phenylacetamide?
N-benzyl-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-N-phenylacetamide has a molecular weight of 398.53 g/mol, XLogP of 5.89, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-N-phenylacetamide is sourced from PubChem (CID 18209419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).