4-amino-2-morpholin-4-yl-5-phenylthiophene-3-carbonitrile

C15H15N3OS — CID 11076984

IUPAC4-amino-2-morpholin-4-yl-5-phenylthiophene-3-carbonitrile
SMILESN#Cc1c(N2CCOCC2)sc(-c2ccccc2)c1N
InChIInChI=1S/C15H15N3OS/c16-10-12-13(17)14(11-4-2-1-3-5-11)20-15(12)18-6-8-19-9-7-18/h1-5H,6-9,17H2
InChIKeyBUSNMOUWBQYKRL-UHFFFAOYSA-N
MW285.37 g/mol
LogP2.71
Rot. Bonds2

About 4-amino-2-morpholin-4-yl-5-phenylthiophene-3-carbonitrile

4-amino-2-morpholin-4-yl-5-phenylthiophene-3-carbonitrile (PubChem CID 11076984) has the molecular formula C15H15N3OS and a molecular weight of 285.37 g/mol. Its IUPAC name is 4-amino-2-morpholin-4-yl-5-phenylthiophene-3-carbonitrile.

Molecular Properties

Compound Name4-amino-2-morpholin-4-yl-5-phenylthiophene-3-carbonitrile
PubChem CID11076984
Molecular FormulaC15H15N3OS
Molecular Weight285.37 g/mol
Exact Mass285.09
IUPAC Name4-amino-2-morpholin-4-yl-5-phenylthiophene-3-carbonitrile
SMILESN#Cc1c(N2CCOCC2)sc(-c2ccccc2)c1N
InChIInChI=1S/C15H15N3OS/c16-10-12-13(17)14(11-4-2-1-3-5-11)20-15(12)18-6-8-19-9-7-18/h1-5H,6-9,17H2
InChIKeyBUSNMOUWBQYKRL-UHFFFAOYSA-N
XLogP2.71
TPSA62.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(5-Morpholin-4-yl-2-thienyl)benzenecarbonitrile
CID 13440714
4-Amino-5-benzoyl-2-morpholino-3-thiophenecarbonitrile
CID 1489052
3,5-Di-morpholin-4-yl-2,4-di-p-tolyl-thiophene
CID 634828
Morpholine, 4,4'-(3,5-diphenyl-2,4-thiophenediyl)bis-
CID 10927641
4-[4-[(4-Fluorophenyl)methyl]-3-isocyano-5-methylthiophen-2-yl]morpholine
CID 160133842
4-Amino-5-phenyl-2-pyrrolidin-1-ylthiophene-3-carbonitrile
CID 10967557
2-Piperidino-4-amino-5-phenyl-3-thiophenecarbonitrile
CID 15257191
3-Amino-5-morpholin-4-ylthiophene-2,4-dicarbonitrile
CID 102162760
2-Morpholin-4-yl-4-phenylthiophene-3-carbonitrile
CID 13782682
4-[(4-Cyanophenyl)methyl]-5-methyl-2-morpholin-4-ylthiophene-3-carbonitrile
CID 68103522
4-[Dimethylamino-(4-methylphenyl)methyl]-5-methyl-2-morpholin-4-ylthiophene-3-carbonitrile
CID 68103525
5-Methyl-4-(4-methylphenyl)-2-morpholin-4-ylthiophene-3-carbonitrile
CID 70948406

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-morpholin-4-yl-5-phenylthiophene-3-carbonitrile?
The IUPAC name of 4-amino-2-morpholin-4-yl-5-phenylthiophene-3-carbonitrile (CID 11076984) is 4-amino-2-morpholin-4-yl-5-phenylthiophene-3-carbonitrile.
What is the SMILES notation for 4-amino-2-morpholin-4-yl-5-phenylthiophene-3-carbonitrile?
The canonical SMILES for 4-amino-2-morpholin-4-yl-5-phenylthiophene-3-carbonitrile is N#Cc1c(N2CCOCC2)sc(-c2ccccc2)c1N.
What is the InChIKey of 4-amino-2-morpholin-4-yl-5-phenylthiophene-3-carbonitrile?
The InChIKey is BUSNMOUWBQYKRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3OS/c16-10-12-13(17)14(11-4-2-1-3-5-11)20-15(12)18-6-8-19-9-7-18/h1-5H,6-9,17H2.
What are the key properties of 4-amino-2-morpholin-4-yl-5-phenylthiophene-3-carbonitrile?
4-amino-2-morpholin-4-yl-5-phenylthiophene-3-carbonitrile has a molecular weight of 285.37 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-morpholin-4-yl-5-phenylthiophene-3-carbonitrile is sourced from PubChem (CID 11076984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).