5-methyl-4-(4-methylphenyl)-2-morpholin-4-ylthiophene-3-carbonitrile

C17H18N2OS — CID 70948406

IUPAC5-methyl-4-(4-methylphenyl)-2-morpholin-4-ylthiophene-3-carbonitrile
SMILESCc1ccc(-c2c(C)sc(N3CCOCC3)c2C#N)cc1
InChIInChI=1S/C17H18N2OS/c1-12-3-5-14(6-4-12)16-13(2)21-17(15(16)11-18)19-7-9-20-10-8-19/h3-6H,7-10H2,1-2H3
InChIKeyDMSCFDRPVAWRJG-UHFFFAOYSA-N
MW298.41 g/mol
LogP3.74
Rot. Bonds2

About 5-methyl-4-(4-methylphenyl)-2-morpholin-4-ylthiophene-3-carbonitrile

5-methyl-4-(4-methylphenyl)-2-morpholin-4-ylthiophene-3-carbonitrile (PubChem CID 70948406) has the molecular formula C17H18N2OS and a molecular weight of 298.41 g/mol. Its IUPAC name is 5-methyl-4-(4-methylphenyl)-2-morpholin-4-ylthiophene-3-carbonitrile.

Molecular Properties

Compound Name5-methyl-4-(4-methylphenyl)-2-morpholin-4-ylthiophene-3-carbonitrile
PubChem CID70948406
Molecular FormulaC17H18N2OS
Molecular Weight298.41 g/mol
Exact Mass298.11
IUPAC Name5-methyl-4-(4-methylphenyl)-2-morpholin-4-ylthiophene-3-carbonitrile
SMILESCc1ccc(-c2c(C)sc(N3CCOCC3)c2C#N)cc1
InChIInChI=1S/C17H18N2OS/c1-12-3-5-14(6-4-12)16-13(2)21-17(15(16)11-18)19-7-9-20-10-8-19/h3-6H,7-10H2,1-2H3
InChIKeyDMSCFDRPVAWRJG-UHFFFAOYSA-N
XLogP3.74
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-(4-methylphenyl)-2-morpholin-4-ylthiophene-3-carbonitrile?
The IUPAC name of 5-methyl-4-(4-methylphenyl)-2-morpholin-4-ylthiophene-3-carbonitrile (CID 70948406) is 5-methyl-4-(4-methylphenyl)-2-morpholin-4-ylthiophene-3-carbonitrile.
What is the SMILES notation for 5-methyl-4-(4-methylphenyl)-2-morpholin-4-ylthiophene-3-carbonitrile?
The canonical SMILES for 5-methyl-4-(4-methylphenyl)-2-morpholin-4-ylthiophene-3-carbonitrile is Cc1ccc(-c2c(C)sc(N3CCOCC3)c2C#N)cc1.
What is the InChIKey of 5-methyl-4-(4-methylphenyl)-2-morpholin-4-ylthiophene-3-carbonitrile?
The InChIKey is DMSCFDRPVAWRJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2OS/c1-12-3-5-14(6-4-12)16-13(2)21-17(15(16)11-18)19-7-9-20-10-8-19/h3-6H,7-10H2,1-2H3.
What are the key properties of 5-methyl-4-(4-methylphenyl)-2-morpholin-4-ylthiophene-3-carbonitrile?
5-methyl-4-(4-methylphenyl)-2-morpholin-4-ylthiophene-3-carbonitrile has a molecular weight of 298.41 g/mol, XLogP of 3.74, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-(4-methylphenyl)-2-morpholin-4-ylthiophene-3-carbonitrile is sourced from PubChem (CID 70948406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).