3-amino-5-(2-ethoxyethylamino)-4-methylsulfanylthiophene-2-carbonitrile

C10H15N3OS2 — CID 103428094

IUPAC3-amino-5-(2-ethoxyethylamino)-4-methylsulfanylthiophene-2-carbonitrile
SMILESCCOCCNc1sc(C#N)c(N)c1SC
InChIInChI=1S/C10H15N3OS2/c1-3-14-5-4-13-10-9(15-2)8(12)7(6-11)16-10/h13H,3-5,12H2,1-2H3
InChIKeyDETAFQGEEWVFJE-UHFFFAOYSA-N
MW257.38 g/mol
LogP2.37
Rot. Bonds6

About 3-amino-5-(2-ethoxyethylamino)-4-methylsulfanylthiophene-2-carbonitrile

3-amino-5-(2-ethoxyethylamino)-4-methylsulfanylthiophene-2-carbonitrile (PubChem CID 103428094) has the molecular formula C10H15N3OS2 and a molecular weight of 257.38 g/mol. Its IUPAC name is 3-amino-5-(2-ethoxyethylamino)-4-methylsulfanylthiophene-2-carbonitrile.

Molecular Properties

Compound Name3-amino-5-(2-ethoxyethylamino)-4-methylsulfanylthiophene-2-carbonitrile
PubChem CID103428094
Molecular FormulaC10H15N3OS2
Molecular Weight257.38 g/mol
Exact Mass257.07
IUPAC Name3-amino-5-(2-ethoxyethylamino)-4-methylsulfanylthiophene-2-carbonitrile
SMILESCCOCCNc1sc(C#N)c(N)c1SC
InChIInChI=1S/C10H15N3OS2/c1-3-14-5-4-13-10-9(15-2)8(12)7(6-11)16-10/h13H,3-5,12H2,1-2H3
InChIKeyDETAFQGEEWVFJE-UHFFFAOYSA-N
XLogP2.37
TPSA71.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-amino-5-(5-methoxypentylamino)-4-methylsulfanylthiophene-2-carbonitrile
CID 114132062
3-amino-5-[2-(4-methylpiperazin-1-yl)ethylamino]-4-methylsulfanylthiophene-2-carbonitrile
CID 103432405
3-amino-5-[2-(3,5-difluorophenyl)ethylamino]-4-methylsulfanylthiophene-2-carbonitrile
CID 103526209
1-[3-amino-5-(3-ethoxypropylamino)-4-methylsulfanylthiophen-2-yl]-2-methylpropan-1-one
CID 103426380
3-amino-5-[(5-bromo-2-fluorophenyl)methylamino]-4-methylsulfanylthiophene-2-carbonitrile
CID 103507766
3-amino-5-[(4-methylpiperazin-1-yl)amino]-4-methylsulfanylthiophene-2-carbonitrile
CID 103505866
3-amino-5-[ethyl(methyl)amino]-4-methylsulfanylthiophene-2-carbonitrile
CID 103420862
3-amino-5-(3-methoxypropylamino)thiophene-2,4-dicarbonitrile
CID 103426993
ethyl 3-amino-4-methylsulfanyl-5-(2-propan-2-yloxyethylamino)thiophene-2-carboxylate
CID 103506442
3-amino-5-(pentylamino)thiophene-2,4-dicarbonitrile
CID 103425366
methyl 4-amino-5-cyano-2-(2-methylsulfonylethylamino)thiophene-3-carboxylate
CID 103432229
3-amino-4-methylsulfanyl-5-(1-pyridin-4-ylethylamino)thiophene-2-carbonitrile
CID 103427506

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(2-ethoxyethylamino)-4-methylsulfanylthiophene-2-carbonitrile?
The IUPAC name of 3-amino-5-(2-ethoxyethylamino)-4-methylsulfanylthiophene-2-carbonitrile (CID 103428094) is 3-amino-5-(2-ethoxyethylamino)-4-methylsulfanylthiophene-2-carbonitrile.
What is the SMILES notation for 3-amino-5-(2-ethoxyethylamino)-4-methylsulfanylthiophene-2-carbonitrile?
The canonical SMILES for 3-amino-5-(2-ethoxyethylamino)-4-methylsulfanylthiophene-2-carbonitrile is CCOCCNc1sc(C#N)c(N)c1SC.
What is the InChIKey of 3-amino-5-(2-ethoxyethylamino)-4-methylsulfanylthiophene-2-carbonitrile?
The InChIKey is DETAFQGEEWVFJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3OS2/c1-3-14-5-4-13-10-9(15-2)8(12)7(6-11)16-10/h13H,3-5,12H2,1-2H3.
What are the key properties of 3-amino-5-(2-ethoxyethylamino)-4-methylsulfanylthiophene-2-carbonitrile?
3-amino-5-(2-ethoxyethylamino)-4-methylsulfanylthiophene-2-carbonitrile has a molecular weight of 257.38 g/mol, XLogP of 2.37, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(2-ethoxyethylamino)-4-methylsulfanylthiophene-2-carbonitrile is sourced from PubChem (CID 103428094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).