5-formyl-2-morpholin-4-yl-4-thiophen-3-ylthiophene-3-carbonitrile

C14H12N2O2S2 — CID 89127253

IUPAC5-formyl-2-morpholin-4-yl-4-thiophen-3-ylthiophene-3-carbonitrile
SMILESN#Cc1c(N2CCOCC2)sc(C=O)c1-c1ccsc1
InChIInChI=1S/C14H12N2O2S2/c15-7-11-13(10-1-6-19-9-10)12(8-17)20-14(11)16-2-4-18-5-3-16/h1,6,8-9H,2-5H2
InChIKeyFPHBKOSSNSLZQJ-UHFFFAOYSA-N
MW304.40 g/mol
LogP3.00
Rot. Bonds3

About 5-formyl-2-morpholin-4-yl-4-thiophen-3-ylthiophene-3-carbonitrile

5-formyl-2-morpholin-4-yl-4-thiophen-3-ylthiophene-3-carbonitrile (PubChem CID 89127253) has the molecular formula C14H12N2O2S2 and a molecular weight of 304.40 g/mol. Its IUPAC name is 5-formyl-2-morpholin-4-yl-4-thiophen-3-ylthiophene-3-carbonitrile.

Molecular Properties

Compound Name5-formyl-2-morpholin-4-yl-4-thiophen-3-ylthiophene-3-carbonitrile
PubChem CID89127253
Molecular FormulaC14H12N2O2S2
Molecular Weight304.40 g/mol
Exact Mass304.03
IUPAC Name5-formyl-2-morpholin-4-yl-4-thiophen-3-ylthiophene-3-carbonitrile
SMILESN#Cc1c(N2CCOCC2)sc(C=O)c1-c1ccsc1
InChIInChI=1S/C14H12N2O2S2/c15-7-11-13(10-1-6-19-9-10)12(8-17)20-14(11)16-2-4-18-5-3-16/h1,6,8-9H,2-5H2
InChIKeyFPHBKOSSNSLZQJ-UHFFFAOYSA-N
XLogP3.00
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.40
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-formyl-2-morpholin-4-yl-4-thiophen-3-ylthiophene-3-carbonitrile?
The IUPAC name of 5-formyl-2-morpholin-4-yl-4-thiophen-3-ylthiophene-3-carbonitrile (CID 89127253) is 5-formyl-2-morpholin-4-yl-4-thiophen-3-ylthiophene-3-carbonitrile.
What is the SMILES notation for 5-formyl-2-morpholin-4-yl-4-thiophen-3-ylthiophene-3-carbonitrile?
The canonical SMILES for 5-formyl-2-morpholin-4-yl-4-thiophen-3-ylthiophene-3-carbonitrile is N#Cc1c(N2CCOCC2)sc(C=O)c1-c1ccsc1.
What is the InChIKey of 5-formyl-2-morpholin-4-yl-4-thiophen-3-ylthiophene-3-carbonitrile?
The InChIKey is FPHBKOSSNSLZQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2S2/c15-7-11-13(10-1-6-19-9-10)12(8-17)20-14(11)16-2-4-18-5-3-16/h1,6,8-9H,2-5H2.
What are the key properties of 5-formyl-2-morpholin-4-yl-4-thiophen-3-ylthiophene-3-carbonitrile?
5-formyl-2-morpholin-4-yl-4-thiophen-3-ylthiophene-3-carbonitrile has a molecular weight of 304.40 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-formyl-2-morpholin-4-yl-4-thiophen-3-ylthiophene-3-carbonitrile is sourced from PubChem (CID 89127253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).