5-(5-cyanothiophen-3-yl)thiophene-2-carbonitrile

C10H4N2S2 — CID 171537965

IUPAC5-(5-cyanothiophen-3-yl)thiophene-2-carbonitrile
SMILESN#Cc1cc(-c2ccc(C#N)s2)cs1
InChIInChI=1S/C10H4N2S2/c11-4-8-1-2-10(14-8)7-3-9(5-12)13-6-7/h1-3,6H
InChIKeyOMWNCGDJTVRJNJ-UHFFFAOYSA-N
MW216.29 g/mol
LogP3.22
Rot. Bonds1

About 5-(5-cyanothiophen-3-yl)thiophene-2-carbonitrile

5-(5-cyanothiophen-3-yl)thiophene-2-carbonitrile (PubChem CID 171537965) has the molecular formula C10H4N2S2 and a molecular weight of 216.29 g/mol. Its IUPAC name is 5-(5-cyanothiophen-3-yl)thiophene-2-carbonitrile.

Molecular Properties

Compound Name5-(5-cyanothiophen-3-yl)thiophene-2-carbonitrile
PubChem CID171537965
Molecular FormulaC10H4N2S2
Molecular Weight216.29 g/mol
Exact Mass215.98
IUPAC Name5-(5-cyanothiophen-3-yl)thiophene-2-carbonitrile
SMILESN#Cc1cc(-c2ccc(C#N)s2)cs1
InChIInChI=1S/C10H4N2S2/c11-4-8-1-2-10(14-8)7-3-9(5-12)13-6-7/h1-3,6H
InChIKeyOMWNCGDJTVRJNJ-UHFFFAOYSA-N
XLogP3.22
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.29
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[5-(5-cyanothiophen-2-yl)thiophen-2-yl]thiophene-2-carbonitrile
CID 11500375
4-thiophen-3-ylthiophene-2-carbonitrile
CID 171537963
4-(4-aminophenyl)thiophene-2-carbonitrile
CID 131392476
5-(3,4-dimethoxyphenyl)thiophene-2-carbonitrile
CID 25132175
5-[4-(dimethylamino)phenyl]thiophene-2-carbonitrile
CID 170871522
5-[4-(trifluoromethyl)phenyl]thiophene-2-carbonitrile
CID 11242212
5-thiophen-2-ylthiophene-2-carbonitrile
CID 2739839
5-(3-methoxyphenyl)thiophene-2-carbonitrile
CID 82078599
5-(3-fluoro-5-formylphenyl)thiophene-2-carbonitrile
CID 172651014
2-chloro-5-(5-cyanothiophen-2-yl)benzoic acid
CID 62065584
5-(3-bromo-4-methoxyphenyl)thiophene-2-carbonitrile
CID 82094398
5-(5-cyanothiophen-2-yl)-2-methylbenzoic acid
CID 65309109

Frequently Asked Questions

What is the IUPAC name of 5-(5-cyanothiophen-3-yl)thiophene-2-carbonitrile?
The IUPAC name of 5-(5-cyanothiophen-3-yl)thiophene-2-carbonitrile (CID 171537965) is 5-(5-cyanothiophen-3-yl)thiophene-2-carbonitrile.
What is the SMILES notation for 5-(5-cyanothiophen-3-yl)thiophene-2-carbonitrile?
The canonical SMILES for 5-(5-cyanothiophen-3-yl)thiophene-2-carbonitrile is N#Cc1cc(-c2ccc(C#N)s2)cs1.
What is the InChIKey of 5-(5-cyanothiophen-3-yl)thiophene-2-carbonitrile?
The InChIKey is OMWNCGDJTVRJNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4N2S2/c11-4-8-1-2-10(14-8)7-3-9(5-12)13-6-7/h1-3,6H.
What are the key properties of 5-(5-cyanothiophen-3-yl)thiophene-2-carbonitrile?
5-(5-cyanothiophen-3-yl)thiophene-2-carbonitrile has a molecular weight of 216.29 g/mol, XLogP of 3.22, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-cyanothiophen-3-yl)thiophene-2-carbonitrile is sourced from PubChem (CID 171537965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).