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

C15H12N2OS2 — CID 651443

IUPACN-(4-phenyl-1,3-thiazol-2-yl)-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C15H12N2OS2/c18-14(9-12-7-4-8-19-12)17-15-16-13(10-20-15)11-5-2-1-3-6-11/h1-8,10H,9H2,(H,16,17,18)
InChIKeyFAPGLCHVGWEYQH-UHFFFAOYSA-N
MW300.41 g/mol
LogP4.05
Rot. Bonds4

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

N-(4-phenyl-1,3-thiazol-2-yl)-2-thiophen-2-ylacetamide (PubChem CID 651443) has the molecular formula C15H12N2OS2 and a molecular weight of 300.41 g/mol. Its IUPAC name is N-(4-phenyl-1,3-thiazol-2-yl)-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-(4-phenyl-1,3-thiazol-2-yl)-2-thiophen-2-ylacetamide
PubChem CID651443
Molecular FormulaC15H12N2OS2
Molecular Weight300.41 g/mol
Exact Mass300.04
IUPAC NameN-(4-phenyl-1,3-thiazol-2-yl)-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C15H12N2OS2/c18-14(9-12-7-4-8-19-12)17-15-16-13(10-20-15)11-5-2-1-3-6-11/h1-8,10H,9H2,(H,16,17,18)
InChIKeyFAPGLCHVGWEYQH-UHFFFAOYSA-N
XLogP4.05
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_E(2)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-phenyl-1,3-thiazol-2-yl)-2-thiophen-2-ylacetamide?
The IUPAC name of N-(4-phenyl-1,3-thiazol-2-yl)-2-thiophen-2-ylacetamide (CID 651443) is N-(4-phenyl-1,3-thiazol-2-yl)-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-(4-phenyl-1,3-thiazol-2-yl)-2-thiophen-2-ylacetamide?
The canonical SMILES for N-(4-phenyl-1,3-thiazol-2-yl)-2-thiophen-2-ylacetamide is O=C(Cc1cccs1)Nc1nc(-c2ccccc2)cs1.
What is the InChIKey of N-(4-phenyl-1,3-thiazol-2-yl)-2-thiophen-2-ylacetamide?
The InChIKey is FAPGLCHVGWEYQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2OS2/c18-14(9-12-7-4-8-19-12)17-15-16-13(10-20-15)11-5-2-1-3-6-11/h1-8,10H,9H2,(H,16,17,18).
What are the key properties of N-(4-phenyl-1,3-thiazol-2-yl)-2-thiophen-2-ylacetamide?
N-(4-phenyl-1,3-thiazol-2-yl)-2-thiophen-2-ylacetamide has a molecular weight of 300.41 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenyl-1,3-thiazol-2-yl)-2-thiophen-2-ylacetamide is sourced from PubChem (CID 651443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).