2-amino-5-ethyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)thiophene-3-carbonitrile

C17H18N2S — CID 82028218

IUPAC2-amino-5-ethyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)thiophene-3-carbonitrile
SMILESCCc1sc(N)c(C#N)c1-c1ccc2c(c1)CCCC2
InChIInChI=1S/C17H18N2S/c1-2-15-16(14(10-18)17(19)20-15)13-8-7-11-5-3-4-6-12(11)9-13/h7-9H,2-6,19H2,1H3
InChIKeyFICQNLMRQRMTHI-UHFFFAOYSA-N
MW282.41 g/mol
LogP4.31
Rot. Bonds2

About 2-amino-5-ethyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)thiophene-3-carbonitrile

2-amino-5-ethyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)thiophene-3-carbonitrile (PubChem CID 82028218) has the molecular formula C17H18N2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 2-amino-5-ethyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)thiophene-3-carbonitrile.

Molecular Properties

Compound Name2-amino-5-ethyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)thiophene-3-carbonitrile
PubChem CID82028218
Molecular FormulaC17H18N2S
Molecular Weight282.41 g/mol
Exact Mass282.12
IUPAC Name2-amino-5-ethyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)thiophene-3-carbonitrile
SMILESCCc1sc(N)c(C#N)c1-c1ccc2c(c1)CCCC2
InChIInChI=1S/C17H18N2S/c1-2-15-16(14(10-18)17(19)20-15)13-8-7-11-5-3-4-6-12(11)9-13/h7-9H,2-6,19H2,1H3
InChIKeyFICQNLMRQRMTHI-UHFFFAOYSA-N
XLogP4.31
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-ethyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)thiophene-3-carbonitrile?
The IUPAC name of 2-amino-5-ethyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)thiophene-3-carbonitrile (CID 82028218) is 2-amino-5-ethyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)thiophene-3-carbonitrile.
What is the SMILES notation for 2-amino-5-ethyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)thiophene-3-carbonitrile?
The canonical SMILES for 2-amino-5-ethyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)thiophene-3-carbonitrile is CCc1sc(N)c(C#N)c1-c1ccc2c(c1)CCCC2.
What is the InChIKey of 2-amino-5-ethyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)thiophene-3-carbonitrile?
The InChIKey is FICQNLMRQRMTHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2S/c1-2-15-16(14(10-18)17(19)20-15)13-8-7-11-5-3-4-6-12(11)9-13/h7-9H,2-6,19H2,1H3.
What are the key properties of 2-amino-5-ethyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)thiophene-3-carbonitrile?
2-amino-5-ethyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)thiophene-3-carbonitrile has a molecular weight of 282.41 g/mol, XLogP of 4.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-ethyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)thiophene-3-carbonitrile is sourced from PubChem (CID 82028218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).