2-amino-4-(oxolan-2-yl)thiophene-3-carbonitrile

C9H10N2OS — CID 130577599

IUPAC2-amino-4-(oxolan-2-yl)thiophene-3-carbonitrile
SMILESN#Cc1c(C2CCCO2)csc1N
InChIInChI=1S/C9H10N2OS/c10-4-6-7(5-13-9(6)11)8-2-1-3-12-8/h5,8H,1-3,11H2
InChIKeyXAWJCIGLJINYFE-UHFFFAOYSA-N
MW194.26 g/mol
LogP2.05
Rot. Bonds1

About 2-amino-4-(oxolan-2-yl)thiophene-3-carbonitrile

2-amino-4-(oxolan-2-yl)thiophene-3-carbonitrile (PubChem CID 130577599) has the molecular formula C9H10N2OS and a molecular weight of 194.26 g/mol. Its IUPAC name is 2-amino-4-(oxolan-2-yl)thiophene-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(oxolan-2-yl)thiophene-3-carbonitrile
PubChem CID130577599
Molecular FormulaC9H10N2OS
Molecular Weight194.26 g/mol
Exact Mass194.05
IUPAC Name2-amino-4-(oxolan-2-yl)thiophene-3-carbonitrile
SMILESN#Cc1c(C2CCCO2)csc1N
InChIInChI=1S/C9H10N2OS/c10-4-6-7(5-13-9(6)11)8-2-1-3-12-8/h5,8H,1-3,11H2
InChIKeyXAWJCIGLJINYFE-UHFFFAOYSA-N
XLogP2.05
TPSA59.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.26
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(oxolan-2-yl)thiophene-3-carbonitrile?
The IUPAC name of 2-amino-4-(oxolan-2-yl)thiophene-3-carbonitrile (CID 130577599) is 2-amino-4-(oxolan-2-yl)thiophene-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(oxolan-2-yl)thiophene-3-carbonitrile?
The canonical SMILES for 2-amino-4-(oxolan-2-yl)thiophene-3-carbonitrile is N#Cc1c(C2CCCO2)csc1N.
What is the InChIKey of 2-amino-4-(oxolan-2-yl)thiophene-3-carbonitrile?
The InChIKey is XAWJCIGLJINYFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2OS/c10-4-6-7(5-13-9(6)11)8-2-1-3-12-8/h5,8H,1-3,11H2.
What are the key properties of 2-amino-4-(oxolan-2-yl)thiophene-3-carbonitrile?
2-amino-4-(oxolan-2-yl)thiophene-3-carbonitrile has a molecular weight of 194.26 g/mol, XLogP of 2.05, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(oxolan-2-yl)thiophene-3-carbonitrile is sourced from PubChem (CID 130577599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).