4-amino-2-(ethylamino)-5-(thiophene-2-carbonyl)thiophene-3-carbonitrile

C12H11N3OS2 — CID 660621

IUPAC4-amino-2-(ethylamino)-5-(thiophene-2-carbonyl)thiophene-3-carbonitrile
SMILESCCNc1sc(C(=O)c2cccs2)c(N)c1C#N
InChIInChI=1S/C12H11N3OS2/c1-2-15-12-7(6-13)9(14)11(18-12)10(16)8-4-3-5-17-8/h3-5,15H,2,14H2,1H3
InChIKeyTXBXBBFFDOLOPB-UHFFFAOYSA-N
MW277.37 g/mol
LogP2.93
Rot. Bonds4

About 4-amino-2-(ethylamino)-5-(thiophene-2-carbonyl)thiophene-3-carbonitrile

4-amino-2-(ethylamino)-5-(thiophene-2-carbonyl)thiophene-3-carbonitrile (PubChem CID 660621) has the molecular formula C12H11N3OS2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 4-amino-2-(ethylamino)-5-(thiophene-2-carbonyl)thiophene-3-carbonitrile.

Molecular Properties

Compound Name4-amino-2-(ethylamino)-5-(thiophene-2-carbonyl)thiophene-3-carbonitrile
PubChem CID660621
Molecular FormulaC12H11N3OS2
Molecular Weight277.37 g/mol
Exact Mass277.03
IUPAC Name4-amino-2-(ethylamino)-5-(thiophene-2-carbonyl)thiophene-3-carbonitrile
SMILESCCNc1sc(C(=O)c2cccs2)c(N)c1C#N
InChIInChI=1S/C12H11N3OS2/c1-2-15-12-7(6-13)9(14)11(18-12)10(16)8-4-3-5-17-8/h3-5,15H,2,14H2,1H3
InChIKeyTXBXBBFFDOLOPB-UHFFFAOYSA-N
XLogP2.93
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(ethylamino)-5-(thiophene-2-carbonyl)thiophene-3-carbonitrile?
The IUPAC name of 4-amino-2-(ethylamino)-5-(thiophene-2-carbonyl)thiophene-3-carbonitrile (CID 660621) is 4-amino-2-(ethylamino)-5-(thiophene-2-carbonyl)thiophene-3-carbonitrile.
What is the SMILES notation for 4-amino-2-(ethylamino)-5-(thiophene-2-carbonyl)thiophene-3-carbonitrile?
The canonical SMILES for 4-amino-2-(ethylamino)-5-(thiophene-2-carbonyl)thiophene-3-carbonitrile is CCNc1sc(C(=O)c2cccs2)c(N)c1C#N.
What is the InChIKey of 4-amino-2-(ethylamino)-5-(thiophene-2-carbonyl)thiophene-3-carbonitrile?
The InChIKey is TXBXBBFFDOLOPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3OS2/c1-2-15-12-7(6-13)9(14)11(18-12)10(16)8-4-3-5-17-8/h3-5,15H,2,14H2,1H3.
What are the key properties of 4-amino-2-(ethylamino)-5-(thiophene-2-carbonyl)thiophene-3-carbonitrile?
4-amino-2-(ethylamino)-5-(thiophene-2-carbonyl)thiophene-3-carbonitrile has a molecular weight of 277.37 g/mol, XLogP of 2.93, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(ethylamino)-5-(thiophene-2-carbonyl)thiophene-3-carbonitrile is sourced from PubChem (CID 660621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).