5-[(1-thiophen-3-ylpropan-2-ylamino)methyl]thiophene-2-carbonitrile

C13H14N2S2 — CID 115675695

IUPAC5-[(1-thiophen-3-ylpropan-2-ylamino)methyl]thiophene-2-carbonitrile
SMILESCC(Cc1ccsc1)NCc1ccc(C#N)s1
InChIInChI=1S/C13H14N2S2/c1-10(6-11-4-5-16-9-11)15-8-13-3-2-12(7-14)17-13/h2-5,9-10,15H,6,8H2,1H3
InChIKeyHPVNTIPZMSXKSD-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.40
Rot. Bonds5

About 5-[(1-thiophen-3-ylpropan-2-ylamino)methyl]thiophene-2-carbonitrile

5-[(1-thiophen-3-ylpropan-2-ylamino)methyl]thiophene-2-carbonitrile (PubChem CID 115675695) has the molecular formula C13H14N2S2 and a molecular weight of 262.40 g/mol. Its IUPAC name is 5-[(1-thiophen-3-ylpropan-2-ylamino)methyl]thiophene-2-carbonitrile.

Molecular Properties

Compound Name5-[(1-thiophen-3-ylpropan-2-ylamino)methyl]thiophene-2-carbonitrile
PubChem CID115675695
Molecular FormulaC13H14N2S2
Molecular Weight262.40 g/mol
Exact Mass262.06
IUPAC Name5-[(1-thiophen-3-ylpropan-2-ylamino)methyl]thiophene-2-carbonitrile
SMILESCC(Cc1ccsc1)NCc1ccc(C#N)s1
InChIInChI=1S/C13H14N2S2/c1-10(6-11-4-5-16-9-11)15-8-13-3-2-12(7-14)17-13/h2-5,9-10,15H,6,8H2,1H3
InChIKeyHPVNTIPZMSXKSD-UHFFFAOYSA-N
XLogP3.40
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(1-cyanopropan-2-ylamino)methyl]thiophene-2-carbonitrile
CID 104586907
5-[(1-ethylsulfanylpropan-2-ylamino)methyl]thiophene-2-carbonitrile
CID 115675962
N-[(5-phenylthiophen-2-yl)methyl]-1-thiophen-3-ylpropan-2-amine
CID 63453731
5-[[1-(3-chlorophenyl)propan-2-ylamino]methyl]thiophene-2-carbonitrile
CID 115675586
5-[[1-(2,6-difluorophenyl)propan-2-ylamino]methyl]thiophene-2-carbonitrile
CID 115675608
1-thiophen-3-yl-N-(thiophen-2-ylmethyl)propan-2-amine
CID 61222092
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-thiophen-3-ylpropan-2-amine
CID 61224120
5-[(1-cyclopropylpropan-2-ylamino)methyl]thiophene-2-carbonitrile
CID 115675866
5-[(heptan-2-ylamino)methyl]thiophene-2-carbonitrile
CID 115675332
5-[(1-piperidin-1-ylpropan-2-ylamino)methyl]thiophene-2-carbonitrile
CID 113250050
4-[(1-thiophen-3-ylpropan-2-ylamino)methyl]pyridine-2-carbonitrile
CID 63882119
3-chloro-4-[(1-thiophen-3-ylpropan-2-ylamino)methyl]benzonitrile
CID 102664253

Frequently Asked Questions

What is the IUPAC name of 5-[(1-thiophen-3-ylpropan-2-ylamino)methyl]thiophene-2-carbonitrile?
The IUPAC name of 5-[(1-thiophen-3-ylpropan-2-ylamino)methyl]thiophene-2-carbonitrile (CID 115675695) is 5-[(1-thiophen-3-ylpropan-2-ylamino)methyl]thiophene-2-carbonitrile.
What is the SMILES notation for 5-[(1-thiophen-3-ylpropan-2-ylamino)methyl]thiophene-2-carbonitrile?
The canonical SMILES for 5-[(1-thiophen-3-ylpropan-2-ylamino)methyl]thiophene-2-carbonitrile is CC(Cc1ccsc1)NCc1ccc(C#N)s1.
What is the InChIKey of 5-[(1-thiophen-3-ylpropan-2-ylamino)methyl]thiophene-2-carbonitrile?
The InChIKey is HPVNTIPZMSXKSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2S2/c1-10(6-11-4-5-16-9-11)15-8-13-3-2-12(7-14)17-13/h2-5,9-10,15H,6,8H2,1H3.
What are the key properties of 5-[(1-thiophen-3-ylpropan-2-ylamino)methyl]thiophene-2-carbonitrile?
5-[(1-thiophen-3-ylpropan-2-ylamino)methyl]thiophene-2-carbonitrile has a molecular weight of 262.40 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-thiophen-3-ylpropan-2-ylamino)methyl]thiophene-2-carbonitrile is sourced from PubChem (CID 115675695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).