2-[2-(2-phenylethyl)-1,3-thiazol-4-yl]-N-prop-2-enylacetamide

C16H18N2OS — CID 110389752

IUPAC2-[2-(2-phenylethyl)-1,3-thiazol-4-yl]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)Cc1csc(CCc2ccccc2)n1
InChIInChI=1S/C16H18N2OS/c1-2-10-17-15(19)11-14-12-20-16(18-14)9-8-13-6-4-3-5-7-13/h2-7,12H,1,8-11H2,(H,17,19)
InChIKeyYYSNMROTQMYANP-UHFFFAOYSA-N
MW286.40 g/mol
LogP2.77
Rot. Bonds7

About 2-[2-(2-phenylethyl)-1,3-thiazol-4-yl]-N-prop-2-enylacetamide

2-[2-(2-phenylethyl)-1,3-thiazol-4-yl]-N-prop-2-enylacetamide (PubChem CID 110389752) has the molecular formula C16H18N2OS and a molecular weight of 286.40 g/mol. Its IUPAC name is 2-[2-(2-phenylethyl)-1,3-thiazol-4-yl]-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-[2-(2-phenylethyl)-1,3-thiazol-4-yl]-N-prop-2-enylacetamide
PubChem CID110389752
Molecular FormulaC16H18N2OS
Molecular Weight286.40 g/mol
Exact Mass286.11
IUPAC Name2-[2-(2-phenylethyl)-1,3-thiazol-4-yl]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)Cc1csc(CCc2ccccc2)n1
InChIInChI=1S/C16H18N2OS/c1-2-10-17-15(19)11-14-12-20-16(18-14)9-8-13-6-4-3-5-7-13/h2-7,12H,1,8-11H2,(H,17,19)
InChIKeyYYSNMROTQMYANP-UHFFFAOYSA-N
XLogP2.77
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-prop-2-enylacetamide
CID 94256521
2-[2-(methoxymethyl)-1,3-thiazol-4-yl]-N-prop-2-enylacetamide
CID 110374660
N-[(2-methoxyphenyl)methyl]-2-[2-(2-phenylethyl)-1,3-thiazol-4-yl]acetamide
CID 110389773
N-(2-aminoethyl)-2-(2-benzyl-1,3-thiazol-4-yl)acetamide
CID 119383166
2-[2-[2-(benzylamino)-2-oxoethyl]-1,3-thiazol-4-yl]acetic acid
CID 9148295
1-ethyl-1-methyl-3-[[2-(2-phenylethyl)-1,3-thiazol-4-yl]methyl]urea
CID 71923156
N-[2-oxo-2-(prop-2-enylamino)ethyl]-2-phenylacetamide
CID 9442349
2-(2-amino-1,3-thiazol-4-yl)-N-(2-phenylethyl)acetamide
CID 3561835
N-prop-2-enyl-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 9399778
2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-N-prop-2-enylacetamide
CID 9399582
N-[2-(2-methoxyphenyl)ethyl]-2-[2-(2-pyridin-4-ylethyl)-1,3-thiazol-4-yl]acetamide
CID 110389639
2-(2-phenylethyl)-N-prop-2-enylbenzamide
CID 2228922

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-phenylethyl)-1,3-thiazol-4-yl]-N-prop-2-enylacetamide?
The IUPAC name of 2-[2-(2-phenylethyl)-1,3-thiazol-4-yl]-N-prop-2-enylacetamide (CID 110389752) is 2-[2-(2-phenylethyl)-1,3-thiazol-4-yl]-N-prop-2-enylacetamide.
What is the SMILES notation for 2-[2-(2-phenylethyl)-1,3-thiazol-4-yl]-N-prop-2-enylacetamide?
The canonical SMILES for 2-[2-(2-phenylethyl)-1,3-thiazol-4-yl]-N-prop-2-enylacetamide is C=CCNC(=O)Cc1csc(CCc2ccccc2)n1.
What is the InChIKey of 2-[2-(2-phenylethyl)-1,3-thiazol-4-yl]-N-prop-2-enylacetamide?
The InChIKey is YYSNMROTQMYANP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2OS/c1-2-10-17-15(19)11-14-12-20-16(18-14)9-8-13-6-4-3-5-7-13/h2-7,12H,1,8-11H2,(H,17,19).
What are the key properties of 2-[2-(2-phenylethyl)-1,3-thiazol-4-yl]-N-prop-2-enylacetamide?
2-[2-(2-phenylethyl)-1,3-thiazol-4-yl]-N-prop-2-enylacetamide has a molecular weight of 286.40 g/mol, XLogP of 2.77, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-phenylethyl)-1,3-thiazol-4-yl]-N-prop-2-enylacetamide is sourced from PubChem (CID 110389752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).