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

C9H12N2OS — CID 130488223

IUPAC2-amino-4-(2-methoxypropan-2-yl)thiophene-3-carbonitrile
SMILESCOC(C)(C)c1csc(N)c1C#N
InChIInChI=1S/C9H12N2OS/c1-9(2,12-3)7-5-13-8(11)6(7)4-10/h5H,11H2,1-3H3
InChIKeyZKGRJHGVIAXYJK-UHFFFAOYSA-N
MW196.27 g/mol
LogP2.08
Rot. Bonds2

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

2-amino-4-(2-methoxypropan-2-yl)thiophene-3-carbonitrile (PubChem CID 130488223) has the molecular formula C9H12N2OS and a molecular weight of 196.27 g/mol. Its IUPAC name is 2-amino-4-(2-methoxypropan-2-yl)thiophene-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(2-methoxypropan-2-yl)thiophene-3-carbonitrile
PubChem CID130488223
Molecular FormulaC9H12N2OS
Molecular Weight196.27 g/mol
Exact Mass196.07
IUPAC Name2-amino-4-(2-methoxypropan-2-yl)thiophene-3-carbonitrile
SMILESCOC(C)(C)c1csc(N)c1C#N
InChIInChI=1S/C9H12N2OS/c1-9(2,12-3)7-5-13-8(11)6(7)4-10/h5H,11H2,1-3H3
InChIKeyZKGRJHGVIAXYJK-UHFFFAOYSA-N
XLogP2.08
TPSA59.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.27
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(2-methoxypropan-2-yl)thiophene-3-carbonitrile?
The IUPAC name of 2-amino-4-(2-methoxypropan-2-yl)thiophene-3-carbonitrile (CID 130488223) is 2-amino-4-(2-methoxypropan-2-yl)thiophene-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(2-methoxypropan-2-yl)thiophene-3-carbonitrile?
The canonical SMILES for 2-amino-4-(2-methoxypropan-2-yl)thiophene-3-carbonitrile is COC(C)(C)c1csc(N)c1C#N.
What is the InChIKey of 2-amino-4-(2-methoxypropan-2-yl)thiophene-3-carbonitrile?
The InChIKey is ZKGRJHGVIAXYJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2OS/c1-9(2,12-3)7-5-13-8(11)6(7)4-10/h5H,11H2,1-3H3.
What are the key properties of 2-amino-4-(2-methoxypropan-2-yl)thiophene-3-carbonitrile?
2-amino-4-(2-methoxypropan-2-yl)thiophene-3-carbonitrile has a molecular weight of 196.27 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(2-methoxypropan-2-yl)thiophene-3-carbonitrile is sourced from PubChem (CID 130488223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).