2-amino-4-thiophen-2-ylfuran-3-carbonitrile

C9H6N2OS — CID 82044048

IUPAC2-amino-4-thiophen-2-ylfuran-3-carbonitrile
SMILESN#Cc1c(-c2cccs2)coc1N
InChIInChI=1S/C9H6N2OS/c10-4-6-7(5-12-9(6)11)8-2-1-3-13-8/h1-3,5H,11H2
InChIKeyRQGDVRYZFHGKER-UHFFFAOYSA-N
MW190.23 g/mol
LogP2.46
Rot. Bonds1

About 2-amino-4-thiophen-2-ylfuran-3-carbonitrile

2-amino-4-thiophen-2-ylfuran-3-carbonitrile (PubChem CID 82044048) has the molecular formula C9H6N2OS and a molecular weight of 190.23 g/mol. Its IUPAC name is 2-amino-4-thiophen-2-ylfuran-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-thiophen-2-ylfuran-3-carbonitrile
PubChem CID82044048
Molecular FormulaC9H6N2OS
Molecular Weight190.23 g/mol
Exact Mass190.02
IUPAC Name2-amino-4-thiophen-2-ylfuran-3-carbonitrile
SMILESN#Cc1c(-c2cccs2)coc1N
InChIInChI=1S/C9H6N2OS/c10-4-6-7(5-12-9(6)11)8-2-1-3-13-8/h1-3,5H,11H2
InChIKeyRQGDVRYZFHGKER-UHFFFAOYSA-N
XLogP2.46
TPSA62.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.23
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-4-(furan-2-yl)furan-3-carbonitrile
CID 22145328
2-amino-4-(4-fluorophenyl)furan-3-carbonitrile
CID 69222371
2,5-dithiophen-2-ylbenzene-1,4-dicarbonitrile
CID 3632903
5-amino-2-phenyl-4-thiophen-2-ylfuran-3-carbonitrile
CID 82045455
2-amino-4-(1H-pyrrol-3-yl)furan-3-carbonitrile
CID 82468114
5-amino-4-(4-fluorophenyl)-2-thiophen-2-ylfuran-3-carbonitrile
CID 82045456
2-amino-6-(2-hydroxyphenyl)-4-thiophen-2-ylpyridine-3-carbonitrile
CID 136909232
2-amino-6-oxo-1-phenyl-4-thiophen-2-ylpyridine-3-carbonitrile
CID 15362191
2-amino-4-(1-methylindol-3-yl)furan-3-carbonitrile
CID 82476649
2-amino-6-(3-fluorophenyl)-4-thiophen-2-ylpyridine-3-carbonitrile
CID 5118720
4-thiophen-2-ylbenzene-1,3-dicarbonitrile
CID 76539683
1,6-dimethyl-2-oxo-4-thiophen-2-ylpyridine-3-carbonitrile
CID 82081814

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-thiophen-2-ylfuran-3-carbonitrile?
The IUPAC name of 2-amino-4-thiophen-2-ylfuran-3-carbonitrile (CID 82044048) is 2-amino-4-thiophen-2-ylfuran-3-carbonitrile.
What is the SMILES notation for 2-amino-4-thiophen-2-ylfuran-3-carbonitrile?
The canonical SMILES for 2-amino-4-thiophen-2-ylfuran-3-carbonitrile is N#Cc1c(-c2cccs2)coc1N.
What is the InChIKey of 2-amino-4-thiophen-2-ylfuran-3-carbonitrile?
The InChIKey is RQGDVRYZFHGKER-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N2OS/c10-4-6-7(5-12-9(6)11)8-2-1-3-13-8/h1-3,5H,11H2.
What are the key properties of 2-amino-4-thiophen-2-ylfuran-3-carbonitrile?
2-amino-4-thiophen-2-ylfuran-3-carbonitrile has a molecular weight of 190.23 g/mol, XLogP of 2.46, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-thiophen-2-ylfuran-3-carbonitrile is sourced from PubChem (CID 82044048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).