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

C25H22N2O2S — CID 1175894

IUPACN-benzyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-phenoxyacetamide
SMILESCc1ccc(-c2csc(N(Cc3ccccc3)C(=O)COc3ccccc3)n2)cc1
InChIInChI=1S/C25H22N2O2S/c1-19-12-14-21(15-13-19)23-18-30-25(26-23)27(16-20-8-4-2-5-9-20)24(28)17-29-22-10-6-3-7-11-22/h2-15,18H,16-17H2,1H3
InChIKeyNBROYOUTYYFNBB-UHFFFAOYSA-N
MW414.53 g/mol
LogP5.73
Rot. Bonds7

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

N-benzyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-phenoxyacetamide (PubChem CID 1175894) has the molecular formula C25H22N2O2S and a molecular weight of 414.53 g/mol. Its IUPAC name is N-benzyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-benzyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-phenoxyacetamide
PubChem CID1175894
Molecular FormulaC25H22N2O2S
Molecular Weight414.53 g/mol
Exact Mass414.14
IUPAC NameN-benzyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-phenoxyacetamide
SMILESCc1ccc(-c2csc(N(Cc3ccccc3)C(=O)COc3ccccc3)n2)cc1
InChIInChI=1S/C25H22N2O2S/c1-19-12-14-21(15-13-19)23-18-30-25(26-23)27(16-20-8-4-2-5-9-20)24(28)17-29-22-10-6-3-7-11-22/h2-15,18H,16-17H2,1H3
InChIKeyNBROYOUTYYFNBB-UHFFFAOYSA-N
XLogP5.73
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.53
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-Ethyl-N-[4-(4-methoxy-phenyl)-thiazol-2-yl]-propionamide
CID 645119
N-{4-[4-(morpholin-4-ylsulfonyl)phenyl]-1,3-thiazol-2-yl}-2-phenoxyacetamide
CID 658973
N-[4-(4-Methoxy-phenyl)-thiazol-2-yl]-N-(3-methoxy-propyl)-acetamide
CID 656248
N-Benzyl-2-phenoxy-N-(4-phenyl-thiazol-2-yl)-acetamide
CID 1139390
N-[4-(4-Methoxy-phenyl)-thiazol-2-yl]-N-phenethyl-2-phenoxy-acetamide
CID 1172672
N-Phenethyl-2-phenoxy-N-(4-p-tolyl-thiazol-2-yl)-acetamide
CID 1175901
N-[4-(4-Fluoro-phenyl)-thiazol-2-yl]-N-phenethyl-2-phenoxy-acetamide
CID 1176056
N-[4-(4-methoxyphenyl)-2-thiazolyl]-N-(2-oxolanylmethyl)benzamide
CID 3170657
N-[4-(4-Methoxy-phenyl)-thiazol-2-yl]-4-methyl-N-(tetrahydro-furan-2-ylmethyl)-benzamide
CID 3170664
2-Fluoro-N-(2-methoxy-ethyl)-N-[4-(4-methoxy-phenyl)-thiazol-2-yl]-benzamide
CID 3170702
N-Benzyl-2-(4-chloro-phenoxy)-N-(4-phenyl-thiazol-2-yl)-acetamide
CID 3173505
N-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 5203987

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-phenoxyacetamide?
The IUPAC name of N-benzyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-phenoxyacetamide (CID 1175894) is N-benzyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-phenoxyacetamide.
What is the SMILES notation for N-benzyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-phenoxyacetamide?
The canonical SMILES for N-benzyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-phenoxyacetamide is Cc1ccc(-c2csc(N(Cc3ccccc3)C(=O)COc3ccccc3)n2)cc1.
What is the InChIKey of N-benzyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-phenoxyacetamide?
The InChIKey is NBROYOUTYYFNBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O2S/c1-19-12-14-21(15-13-19)23-18-30-25(26-23)27(16-20-8-4-2-5-9-20)24(28)17-29-22-10-6-3-7-11-22/h2-15,18H,16-17H2,1H3.
What are the key properties of N-benzyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-phenoxyacetamide?
N-benzyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-phenoxyacetamide has a molecular weight of 414.53 g/mol, XLogP of 5.73, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-phenoxyacetamide is sourced from PubChem (CID 1175894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).