N-[2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethyl]-2,2-diphenylacetamide

C26H24N2O2S — CID 39071719

IUPACN-[2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethyl]-2,2-diphenylacetamide
SMILESCOc1ccc(-c2csc(CCNC(=O)C(c3ccccc3)c3ccccc3)n2)cc1
InChIInChI=1S/C26H24N2O2S/c1-30-22-14-12-19(13-15-22)23-18-31-24(28-23)16-17-27-26(29)25(20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-15,18,25H,16-17H2,1H3,(H,27,29)
InChIKeyUAXPADUCHPBCMS-UHFFFAOYSA-N
MW428.56 g/mol
LogP5.31
Rot. Bonds8

About N-[2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethyl]-2,2-diphenylacetamide

N-[2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethyl]-2,2-diphenylacetamide (PubChem CID 39071719) has the molecular formula C26H24N2O2S and a molecular weight of 428.56 g/mol. Its IUPAC name is N-[2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethyl]-2,2-diphenylacetamide.

Molecular Properties

Compound NameN-[2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethyl]-2,2-diphenylacetamide
PubChem CID39071719
Molecular FormulaC26H24N2O2S
Molecular Weight428.56 g/mol
Exact Mass428.16
IUPAC NameN-[2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethyl]-2,2-diphenylacetamide
SMILESCOc1ccc(-c2csc(CCNC(=O)C(c3ccccc3)c3ccccc3)n2)cc1
InChIInChI=1S/C26H24N2O2S/c1-30-22-14-12-19(13-15-22)23-18-31-24(28-23)16-17-27-26(29)25(20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-15,18,25H,16-17H2,1H3,(H,27,29)
InChIKeyUAXPADUCHPBCMS-UHFFFAOYSA-N
XLogP5.31
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.56
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethyl]-2-methylpropanamide
CID 39071665
2-(1,3-dioxoisoindol-2-yl)-N-[2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethyl]acetamide
CID 39071753
N-[2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethyl]-2-(2-phenoxyethoxy)acetamide
CID 47076382
1-(4-methoxyphenyl)-3-[2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethyl]urea
CID 71691444
N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]acetamide
CID 1497759
N-[2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]ethyl]-4-methoxybenzamide
CID 1497766
3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-(2-propan-2-yloxyethyl)propanamide
CID 110418857
2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methylsulfanyl]benzoic acid
CID 20983920
N-[2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethyl]-2,5-dimethylfuran-3-carboxamide
CID 75537694
3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-[(2-methylphenyl)methyl]propanamide
CID 110409063
2-(2,4-dioxo-1H-pyrimidin-5-yl)-N-[2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethyl]acetamide
CID 46972199
2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethylazanium
CID 7241954

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethyl]-2,2-diphenylacetamide?
The IUPAC name of N-[2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethyl]-2,2-diphenylacetamide (CID 39071719) is N-[2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethyl]-2,2-diphenylacetamide.
What is the SMILES notation for N-[2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethyl]-2,2-diphenylacetamide?
The canonical SMILES for N-[2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethyl]-2,2-diphenylacetamide is COc1ccc(-c2csc(CCNC(=O)C(c3ccccc3)c3ccccc3)n2)cc1.
What is the InChIKey of N-[2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethyl]-2,2-diphenylacetamide?
The InChIKey is UAXPADUCHPBCMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O2S/c1-30-22-14-12-19(13-15-22)23-18-31-24(28-23)16-17-27-26(29)25(20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-15,18,25H,16-17H2,1H3,(H,27,29).
What are the key properties of N-[2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethyl]-2,2-diphenylacetamide?
N-[2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethyl]-2,2-diphenylacetamide has a molecular weight of 428.56 g/mol, XLogP of 5.31, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethyl]-2,2-diphenylacetamide is sourced from PubChem (CID 39071719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).