5-[2-[(propan-2-ylamino)methyl]phenyl]thiophene-2-carbonitrile

C15H16N2S — CID 55030208

IUPAC5-[2-[(propan-2-ylamino)methyl]phenyl]thiophene-2-carbonitrile
SMILESCC(C)NCc1ccccc1-c1ccc(C#N)s1
InChIInChI=1S/C15H16N2S/c1-11(2)17-10-12-5-3-4-6-14(12)15-8-7-13(9-16)18-15/h3-8,11,17H,10H2,1-2H3
InChIKeyXOMWXHYECITPIT-UHFFFAOYSA-N
MW256.37 g/mol
LogP3.78
Rot. Bonds4

About 5-[2-[(propan-2-ylamino)methyl]phenyl]thiophene-2-carbonitrile

5-[2-[(propan-2-ylamino)methyl]phenyl]thiophene-2-carbonitrile (PubChem CID 55030208) has the molecular formula C15H16N2S and a molecular weight of 256.37 g/mol. Its IUPAC name is 5-[2-[(propan-2-ylamino)methyl]phenyl]thiophene-2-carbonitrile.

Molecular Properties

Compound Name5-[2-[(propan-2-ylamino)methyl]phenyl]thiophene-2-carbonitrile
PubChem CID55030208
Molecular FormulaC15H16N2S
Molecular Weight256.37 g/mol
Exact Mass256.10
IUPAC Name5-[2-[(propan-2-ylamino)methyl]phenyl]thiophene-2-carbonitrile
SMILESCC(C)NCc1ccccc1-c1ccc(C#N)s1
InChIInChI=1S/C15H16N2S/c1-11(2)17-10-12-5-3-4-6-14(12)15-8-7-13(9-16)18-15/h3-8,11,17H,10H2,1-2H3
InChIKeyXOMWXHYECITPIT-UHFFFAOYSA-N
XLogP3.78
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-[2-[(propan-2-ylamino)methyl]phenyl]thiophene-2-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[2-[(propan-2-ylamino)methyl]phenyl]thiophene-2-carbonitrile?
The IUPAC name of 5-[2-[(propan-2-ylamino)methyl]phenyl]thiophene-2-carbonitrile (CID 55030208) is 5-[2-[(propan-2-ylamino)methyl]phenyl]thiophene-2-carbonitrile.
What is the SMILES notation for 5-[2-[(propan-2-ylamino)methyl]phenyl]thiophene-2-carbonitrile?
The canonical SMILES for 5-[2-[(propan-2-ylamino)methyl]phenyl]thiophene-2-carbonitrile is CC(C)NCc1ccccc1-c1ccc(C#N)s1.
What is the InChIKey of 5-[2-[(propan-2-ylamino)methyl]phenyl]thiophene-2-carbonitrile?
The InChIKey is XOMWXHYECITPIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2S/c1-11(2)17-10-12-5-3-4-6-14(12)15-8-7-13(9-16)18-15/h3-8,11,17H,10H2,1-2H3.
What are the key properties of 5-[2-[(propan-2-ylamino)methyl]phenyl]thiophene-2-carbonitrile?
5-[2-[(propan-2-ylamino)methyl]phenyl]thiophene-2-carbonitrile has a molecular weight of 256.37 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(propan-2-ylamino)methyl]phenyl]thiophene-2-carbonitrile is sourced from PubChem (CID 55030208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).