4-(5-morpholin-4-ylthiophen-2-yl)benzonitrile

C15H14N2OS — CID 13440714

IUPAC4-(5-morpholin-4-ylthiophen-2-yl)benzonitrile
SMILESN#Cc1ccc(-c2ccc(N3CCOCC3)s2)cc1
InChIInChI=1S/C15H14N2OS/c16-11-12-1-3-13(4-2-12)14-5-6-15(19-14)17-7-9-18-10-8-17/h1-6H,7-10H2
InChIKeySVPOIJXMXCMIIM-UHFFFAOYSA-N
MW270.36 g/mol
LogP3.12
Rot. Bonds2

About 4-(5-morpholin-4-ylthiophen-2-yl)benzonitrile

4-(5-morpholin-4-ylthiophen-2-yl)benzonitrile (PubChem CID 13440714) has the molecular formula C15H14N2OS and a molecular weight of 270.36 g/mol. Its IUPAC name is 4-(5-morpholin-4-ylthiophen-2-yl)benzonitrile.

Molecular Properties

Compound Name4-(5-morpholin-4-ylthiophen-2-yl)benzonitrile
PubChem CID13440714
Molecular FormulaC15H14N2OS
Molecular Weight270.36 g/mol
Exact Mass270.08
IUPAC Name4-(5-morpholin-4-ylthiophen-2-yl)benzonitrile
SMILESN#Cc1ccc(-c2ccc(N3CCOCC3)s2)cc1
InChIInChI=1S/C15H14N2OS/c16-11-12-1-3-13(4-2-12)14-5-6-15(19-14)17-7-9-18-10-8-17/h1-6H,7-10H2
InChIKeySVPOIJXMXCMIIM-UHFFFAOYSA-N
XLogP3.12
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(5-Phenylthiophen-2-yl)morpholine
CID 693178
4-(5-Phenylthiophen-3-yl)morpholine
CID 693179
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CID 10800406
2-(Morpholin-4-yl)-1-benzothiophene
CID 12449086
2-[2-Ethoxyethyl(methyl)amino]-5-methyl-4-[3-(trifluoromethyl)phenyl]thiophene-3-carbonitrile
CID 70948420
4-[3-(4-Fluorophenyl)thiophen-2-yl]morpholine
CID 90841292
4-[2-[(3R)-3-fluoropyrrolidin-1-yl]ethoxymethyl]-1-(5-phenylthiophen-2-yl)piperidine
CID 151474584
4-[5-[4-(Trifluoromethyl)phenyl]thiophen-3-yl]morpholine
CID 152469317
4-Amino-2-morpholin-4-yl-5-phenylthiophene-3-carbonitrile
CID 11076984
4-(5-Pyrrolidin-1-ylthiophen-2-yl)benzonitrile
CID 132992010
4-[5-[1,3-Dioxolan-2-ylmethyl(methyl)amino]thiophen-2-yl]benzonitrile
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4-(5-Morpholin-4-yltellurophen-2-yl)benzonitrile
CID 176429383

Frequently Asked Questions

What is the IUPAC name of 4-(5-morpholin-4-ylthiophen-2-yl)benzonitrile?
The IUPAC name of 4-(5-morpholin-4-ylthiophen-2-yl)benzonitrile (CID 13440714) is 4-(5-morpholin-4-ylthiophen-2-yl)benzonitrile.
What is the SMILES notation for 4-(5-morpholin-4-ylthiophen-2-yl)benzonitrile?
The canonical SMILES for 4-(5-morpholin-4-ylthiophen-2-yl)benzonitrile is N#Cc1ccc(-c2ccc(N3CCOCC3)s2)cc1.
What is the InChIKey of 4-(5-morpholin-4-ylthiophen-2-yl)benzonitrile?
The InChIKey is SVPOIJXMXCMIIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2OS/c16-11-12-1-3-13(4-2-12)14-5-6-15(19-14)17-7-9-18-10-8-17/h1-6H,7-10H2.
What are the key properties of 4-(5-morpholin-4-ylthiophen-2-yl)benzonitrile?
4-(5-morpholin-4-ylthiophen-2-yl)benzonitrile has a molecular weight of 270.36 g/mol, XLogP of 3.12, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-morpholin-4-ylthiophen-2-yl)benzonitrile is sourced from PubChem (CID 13440714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).