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

C19H18N2OS — CID 6467576

IUPACN-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]-2-phenylacetamide
SMILESCc1ccc(-c2nc(CNC(=O)Cc3ccccc3)cs2)cc1
InChIInChI=1S/C19H18N2OS/c1-14-7-9-16(10-8-14)19-21-17(13-23-19)12-20-18(22)11-15-5-3-2-4-6-15/h2-10,13H,11-12H2,1H3,(H,20,22)
InChIKeyKGYNWQYUVZJMQN-UHFFFAOYSA-N
MW322.43 g/mol
LogP3.98
Rot. Bonds5

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

N-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]-2-phenylacetamide (PubChem CID 6467576) has the molecular formula C19H18N2OS and a molecular weight of 322.43 g/mol. Its IUPAC name is N-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]-2-phenylacetamide
PubChem CID6467576
Molecular FormulaC19H18N2OS
Molecular Weight322.43 g/mol
Exact Mass322.11
IUPAC NameN-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]-2-phenylacetamide
SMILESCc1ccc(-c2nc(CNC(=O)Cc3ccccc3)cs2)cc1
InChIInChI=1S/C19H18N2OS/c1-14-7-9-16(10-8-14)19-21-17(13-23-19)12-20-18(22)11-15-5-3-2-4-6-15/h2-10,13H,11-12H2,1H3,(H,20,22)
InChIKeyKGYNWQYUVZJMQN-UHFFFAOYSA-N
XLogP3.98
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methoxyphenyl)-N-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]acetamide
CID 17164148
N-(1,3-benzothiazol-2-ylmethyl)-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 38135894
[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 2-phenylacetate
CID 55319347
N-benzyl-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 9191739
2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]acetamide
CID 24675874
N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]-2-phenylacetamide
CID 35344893
2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 9455412
N-[2-(benzenesulfonyl)ethyl]-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 60515359
N-benzyl-2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 8713252
2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]acetamide
CID 121050677
2-naphthalen-1-yl-N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]acetamide
CID 108749285
N-benzyl-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-N-phenylacetamide
CID 18209419

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]-2-phenylacetamide?
The IUPAC name of N-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]-2-phenylacetamide (CID 6467576) is N-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]-2-phenylacetamide.
What is the SMILES notation for N-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]-2-phenylacetamide?
The canonical SMILES for N-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]-2-phenylacetamide is Cc1ccc(-c2nc(CNC(=O)Cc3ccccc3)cs2)cc1.
What is the InChIKey of N-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]-2-phenylacetamide?
The InChIKey is KGYNWQYUVZJMQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2OS/c1-14-7-9-16(10-8-14)19-21-17(13-23-19)12-20-18(22)11-15-5-3-2-4-6-15/h2-10,13H,11-12H2,1H3,(H,20,22).
What are the key properties of N-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]-2-phenylacetamide?
N-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]-2-phenylacetamide has a molecular weight of 322.43 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]-2-phenylacetamide is sourced from PubChem (CID 6467576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).