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

C17H11N3OS2 — CID 6160742

IUPAC(E)-N-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]-3-thiophen-2-ylprop-2-enamide
SMILESN#Cc1ccc(-c2csc(NC(=O)/C=C/c3cccs3)n2)cc1
InChIInChI=1S/C17H11N3OS2/c18-10-12-3-5-13(6-4-12)15-11-23-17(19-15)20-16(21)8-7-14-2-1-9-22-14/h1-9,11H,(H,19,20,21)/b8-7+
InChIKeyMKLLKOGBIGZVID-BQYQJAHWSA-N
MW337.43 g/mol
LogP4.40
Rot. Bonds4

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

(E)-N-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]-3-thiophen-2-ylprop-2-enamide (PubChem CID 6160742) has the molecular formula C17H11N3OS2 and a molecular weight of 337.43 g/mol. Its IUPAC name is (E)-N-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]-3-thiophen-2-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]-3-thiophen-2-ylprop-2-enamide
PubChem CID6160742
Molecular FormulaC17H11N3OS2
Molecular Weight337.43 g/mol
Exact Mass337.03
IUPAC Name(E)-N-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]-3-thiophen-2-ylprop-2-enamide
SMILESN#Cc1ccc(-c2csc(NC(=O)/C=C/c3cccs3)n2)cc1
InChIInChI=1S/C17H11N3OS2/c18-10-12-3-5-13(6-4-12)15-11-23-17(19-15)20-16(21)8-7-14-2-1-9-22-14/h1-9,11H,(H,19,20,21)/b8-7+
InChIKeyMKLLKOGBIGZVID-BQYQJAHWSA-N
XLogP4.40
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 ≤ 54.40
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 (E)-N-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]-3-thiophen-2-ylprop-2-enamide?
The IUPAC name of (E)-N-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]-3-thiophen-2-ylprop-2-enamide (CID 6160742) is (E)-N-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]-3-thiophen-2-ylprop-2-enamide.
What is the SMILES notation for (E)-N-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]-3-thiophen-2-ylprop-2-enamide?
The canonical SMILES for (E)-N-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]-3-thiophen-2-ylprop-2-enamide is N#Cc1ccc(-c2csc(NC(=O)/C=C/c3cccs3)n2)cc1.
What is the InChIKey of (E)-N-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]-3-thiophen-2-ylprop-2-enamide?
The InChIKey is MKLLKOGBIGZVID-BQYQJAHWSA-N. The full InChI is InChI=1S/C17H11N3OS2/c18-10-12-3-5-13(6-4-12)15-11-23-17(19-15)20-16(21)8-7-14-2-1-9-22-14/h1-9,11H,(H,19,20,21)/b8-7+.
What are the key properties of (E)-N-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]-3-thiophen-2-ylprop-2-enamide?
(E)-N-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]-3-thiophen-2-ylprop-2-enamide has a molecular weight of 337.43 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]-3-thiophen-2-ylprop-2-enamide is sourced from PubChem (CID 6160742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).