2-(4-cyanophenyl)-N-(1,3-thiazol-2-yl)-3-thiophen-2-ylprop-2-enamide

C17H11N3OS2 — CID 85152597

IUPAC2-(4-cyanophenyl)-N-(1,3-thiazol-2-yl)-3-thiophen-2-ylprop-2-enamide
SMILESN#Cc1ccc(C(=Cc2cccs2)C(=O)Nc2nccs2)cc1
InChIInChI=1S/C17H11N3OS2/c18-11-12-3-5-13(6-4-12)15(10-14-2-1-8-22-14)16(21)20-17-19-7-9-23-17/h1-10H,(H,19,20,21)
InChIKeyJBRKRIQOFHXRNU-UHFFFAOYSA-N
MW337.43 g/mol
LogP4.26
Rot. Bonds4

About 2-(4-cyanophenyl)-N-(1,3-thiazol-2-yl)-3-thiophen-2-ylprop-2-enamide

2-(4-cyanophenyl)-N-(1,3-thiazol-2-yl)-3-thiophen-2-ylprop-2-enamide (PubChem CID 85152597) has the molecular formula C17H11N3OS2 and a molecular weight of 337.43 g/mol. Its IUPAC name is 2-(4-cyanophenyl)-N-(1,3-thiazol-2-yl)-3-thiophen-2-ylprop-2-enamide.

Molecular Properties

Compound Name2-(4-cyanophenyl)-N-(1,3-thiazol-2-yl)-3-thiophen-2-ylprop-2-enamide
PubChem CID85152597
Molecular FormulaC17H11N3OS2
Molecular Weight337.43 g/mol
Exact Mass337.03
IUPAC Name2-(4-cyanophenyl)-N-(1,3-thiazol-2-yl)-3-thiophen-2-ylprop-2-enamide
SMILESN#Cc1ccc(C(=Cc2cccs2)C(=O)Nc2nccs2)cc1
InChIInChI=1S/C17H11N3OS2/c18-11-12-3-5-13(6-4-12)15(10-14-2-1-8-22-14)16(21)20-17-19-7-9-23-17/h1-10H,(H,19,20,21)
InChIKeyJBRKRIQOFHXRNU-UHFFFAOYSA-N
XLogP4.26
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanophenyl)-N-(1,3-thiazol-2-yl)-3-thiophen-2-ylprop-2-enamide?
The IUPAC name of 2-(4-cyanophenyl)-N-(1,3-thiazol-2-yl)-3-thiophen-2-ylprop-2-enamide (CID 85152597) is 2-(4-cyanophenyl)-N-(1,3-thiazol-2-yl)-3-thiophen-2-ylprop-2-enamide.
What is the SMILES notation for 2-(4-cyanophenyl)-N-(1,3-thiazol-2-yl)-3-thiophen-2-ylprop-2-enamide?
The canonical SMILES for 2-(4-cyanophenyl)-N-(1,3-thiazol-2-yl)-3-thiophen-2-ylprop-2-enamide is N#Cc1ccc(C(=Cc2cccs2)C(=O)Nc2nccs2)cc1.
What is the InChIKey of 2-(4-cyanophenyl)-N-(1,3-thiazol-2-yl)-3-thiophen-2-ylprop-2-enamide?
The InChIKey is JBRKRIQOFHXRNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11N3OS2/c18-11-12-3-5-13(6-4-12)15(10-14-2-1-8-22-14)16(21)20-17-19-7-9-23-17/h1-10H,(H,19,20,21).
What are the key properties of 2-(4-cyanophenyl)-N-(1,3-thiazol-2-yl)-3-thiophen-2-ylprop-2-enamide?
2-(4-cyanophenyl)-N-(1,3-thiazol-2-yl)-3-thiophen-2-ylprop-2-enamide has a molecular weight of 337.43 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyanophenyl)-N-(1,3-thiazol-2-yl)-3-thiophen-2-ylprop-2-enamide is sourced from PubChem (CID 85152597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).