2-amino-4,5-dimethyl-1-thiophen-3-ylpyrrole-3-carbonitrile

C11H11N3S — CID 66350871

IUPAC2-amino-4,5-dimethyl-1-thiophen-3-ylpyrrole-3-carbonitrile
SMILESCc1c(C#N)c(N)n(-c2ccsc2)c1C
InChIInChI=1S/C11H11N3S/c1-7-8(2)14(9-3-4-15-6-9)11(13)10(7)5-12/h3-4,6H,13H2,1-2H3
InChIKeyCNCDZXJHIIJJFO-UHFFFAOYSA-N
MW217.30 g/mol
LogP2.61
Rot. Bonds1

About 2-amino-4,5-dimethyl-1-thiophen-3-ylpyrrole-3-carbonitrile

2-amino-4,5-dimethyl-1-thiophen-3-ylpyrrole-3-carbonitrile (PubChem CID 66350871) has the molecular formula C11H11N3S and a molecular weight of 217.30 g/mol. Its IUPAC name is 2-amino-4,5-dimethyl-1-thiophen-3-ylpyrrole-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4,5-dimethyl-1-thiophen-3-ylpyrrole-3-carbonitrile
PubChem CID66350871
Molecular FormulaC11H11N3S
Molecular Weight217.30 g/mol
Exact Mass217.07
IUPAC Name2-amino-4,5-dimethyl-1-thiophen-3-ylpyrrole-3-carbonitrile
SMILESCc1c(C#N)c(N)n(-c2ccsc2)c1C
InChIInChI=1S/C11H11N3S/c1-7-8(2)14(9-3-4-15-6-9)11(13)10(7)5-12/h3-4,6H,13H2,1-2H3
InChIKeyCNCDZXJHIIJJFO-UHFFFAOYSA-N
XLogP2.61
TPSA54.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.30
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4,5-dimethyl-1-thiophen-3-ylpyrrole-3-carbonitrile?
The IUPAC name of 2-amino-4,5-dimethyl-1-thiophen-3-ylpyrrole-3-carbonitrile (CID 66350871) is 2-amino-4,5-dimethyl-1-thiophen-3-ylpyrrole-3-carbonitrile.
What is the SMILES notation for 2-amino-4,5-dimethyl-1-thiophen-3-ylpyrrole-3-carbonitrile?
The canonical SMILES for 2-amino-4,5-dimethyl-1-thiophen-3-ylpyrrole-3-carbonitrile is Cc1c(C#N)c(N)n(-c2ccsc2)c1C.
What is the InChIKey of 2-amino-4,5-dimethyl-1-thiophen-3-ylpyrrole-3-carbonitrile?
The InChIKey is CNCDZXJHIIJJFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3S/c1-7-8(2)14(9-3-4-15-6-9)11(13)10(7)5-12/h3-4,6H,13H2,1-2H3.
What are the key properties of 2-amino-4,5-dimethyl-1-thiophen-3-ylpyrrole-3-carbonitrile?
2-amino-4,5-dimethyl-1-thiophen-3-ylpyrrole-3-carbonitrile has a molecular weight of 217.30 g/mol, XLogP of 2.61, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4,5-dimethyl-1-thiophen-3-ylpyrrole-3-carbonitrile is sourced from PubChem (CID 66350871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).