5-[5-(dimethylamino)thiophen-2-yl]thiophene-2-carbonitrile

C11H10N2S2 — CID 10082783

IUPAC5-[5-(dimethylamino)thiophen-2-yl]thiophene-2-carbonitrile
SMILESCN(C)c1ccc(-c2ccc(C#N)s2)s1
InChIInChI=1S/C11H10N2S2/c1-13(2)11-6-5-10(15-11)9-4-3-8(7-12)14-9/h3-6H,1-2H3
InChIKeyNZHKYSRATGLVMA-UHFFFAOYSA-N
MW234.35 g/mol
LogP3.41
Rot. Bonds2

About 5-[5-(dimethylamino)thiophen-2-yl]thiophene-2-carbonitrile

5-[5-(dimethylamino)thiophen-2-yl]thiophene-2-carbonitrile (PubChem CID 10082783) has the molecular formula C11H10N2S2 and a molecular weight of 234.35 g/mol. Its IUPAC name is 5-[5-(dimethylamino)thiophen-2-yl]thiophene-2-carbonitrile.

Molecular Properties

Compound Name5-[5-(dimethylamino)thiophen-2-yl]thiophene-2-carbonitrile
PubChem CID10082783
Molecular FormulaC11H10N2S2
Molecular Weight234.35 g/mol
Exact Mass234.03
IUPAC Name5-[5-(dimethylamino)thiophen-2-yl]thiophene-2-carbonitrile
SMILESCN(C)c1ccc(-c2ccc(C#N)s2)s1
InChIInChI=1S/C11H10N2S2/c1-13(2)11-6-5-10(15-11)9-4-3-8(7-12)14-9/h3-6H,1-2H3
InChIKeyNZHKYSRATGLVMA-UHFFFAOYSA-N
XLogP3.41
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[5-(dimethylamino)thiophen-2-yl]thiophene-2-carbonitrile?
The IUPAC name of 5-[5-(dimethylamino)thiophen-2-yl]thiophene-2-carbonitrile (CID 10082783) is 5-[5-(dimethylamino)thiophen-2-yl]thiophene-2-carbonitrile.
What is the SMILES notation for 5-[5-(dimethylamino)thiophen-2-yl]thiophene-2-carbonitrile?
The canonical SMILES for 5-[5-(dimethylamino)thiophen-2-yl]thiophene-2-carbonitrile is CN(C)c1ccc(-c2ccc(C#N)s2)s1.
What is the InChIKey of 5-[5-(dimethylamino)thiophen-2-yl]thiophene-2-carbonitrile?
The InChIKey is NZHKYSRATGLVMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2S2/c1-13(2)11-6-5-10(15-11)9-4-3-8(7-12)14-9/h3-6H,1-2H3.
What are the key properties of 5-[5-(dimethylamino)thiophen-2-yl]thiophene-2-carbonitrile?
5-[5-(dimethylamino)thiophen-2-yl]thiophene-2-carbonitrile has a molecular weight of 234.35 g/mol, XLogP of 3.41, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(dimethylamino)thiophen-2-yl]thiophene-2-carbonitrile is sourced from PubChem (CID 10082783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).