N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-2-thiophen-2-ylacetamide

C17H16N2OS2 — CID 7119102

IUPACN-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)NCCc1csc(-c2ccccc2)n1
InChIInChI=1S/C17H16N2OS2/c20-16(11-15-7-4-10-21-15)18-9-8-14-12-22-17(19-14)13-5-2-1-3-6-13/h1-7,10,12H,8-9,11H2,(H,18,20)
InChIKeyJKEHLIIOWVQXEW-UHFFFAOYSA-N
MW328.46 g/mol
LogP3.77
Rot. Bonds6

About N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-2-thiophen-2-ylacetamide

N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-2-thiophen-2-ylacetamide (PubChem CID 7119102) has the molecular formula C17H16N2OS2 and a molecular weight of 328.46 g/mol. Its IUPAC name is N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-2-thiophen-2-ylacetamide
PubChem CID7119102
Molecular FormulaC17H16N2OS2
Molecular Weight328.46 g/mol
Exact Mass328.07
IUPAC NameN-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)NCCc1csc(-c2ccccc2)n1
InChIInChI=1S/C17H16N2OS2/c20-16(11-15-7-4-10-21-15)18-9-8-14-12-22-17(19-14)13-5-2-1-3-6-13/h1-7,10,12H,8-9,11H2,(H,18,20)
InChIKeyJKEHLIIOWVQXEW-UHFFFAOYSA-N
XLogP3.77
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-2-thiophen-2-ylacetamide (CID 7119102) is N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-2-thiophen-2-ylacetamide is O=C(Cc1cccs1)NCCc1csc(-c2ccccc2)n1.
What is the InChIKey of N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-2-thiophen-2-ylacetamide?
The InChIKey is JKEHLIIOWVQXEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2OS2/c20-16(11-15-7-4-10-21-15)18-9-8-14-12-22-17(19-14)13-5-2-1-3-6-13/h1-7,10,12H,8-9,11H2,(H,18,20).
What are the key properties of N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-2-thiophen-2-ylacetamide?
N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-2-thiophen-2-ylacetamide has a molecular weight of 328.46 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 7119102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).