3-amino-5-[(1-methylpyrrolidin-3-yl)amino]-4-propan-2-yloxythiophene-2-carbonitrile

C13H20N4OS — CID 103508090

IUPAC3-amino-5-[(1-methylpyrrolidin-3-yl)amino]-4-propan-2-yloxythiophene-2-carbonitrile
SMILESCC(C)Oc1c(NC2CCN(C)C2)sc(C#N)c1N
InChIInChI=1S/C13H20N4OS/c1-8(2)18-12-11(15)10(6-14)19-13(12)16-9-4-5-17(3)7-9/h8-9,16H,4-5,7,15H2,1-3H3
InChIKeyFFUYXAXPVAGEJF-UHFFFAOYSA-N
MW280.40 g/mol
LogP2.11
Rot. Bonds4

About 3-amino-5-[(1-methylpyrrolidin-3-yl)amino]-4-propan-2-yloxythiophene-2-carbonitrile

3-amino-5-[(1-methylpyrrolidin-3-yl)amino]-4-propan-2-yloxythiophene-2-carbonitrile (PubChem CID 103508090) has the molecular formula C13H20N4OS and a molecular weight of 280.40 g/mol. Its IUPAC name is 3-amino-5-[(1-methylpyrrolidin-3-yl)amino]-4-propan-2-yloxythiophene-2-carbonitrile.

Molecular Properties

Compound Name3-amino-5-[(1-methylpyrrolidin-3-yl)amino]-4-propan-2-yloxythiophene-2-carbonitrile
PubChem CID103508090
Molecular FormulaC13H20N4OS
Molecular Weight280.40 g/mol
Exact Mass280.14
IUPAC Name3-amino-5-[(1-methylpyrrolidin-3-yl)amino]-4-propan-2-yloxythiophene-2-carbonitrile
SMILESCC(C)Oc1c(NC2CCN(C)C2)sc(C#N)c1N
InChIInChI=1S/C13H20N4OS/c1-8(2)18-12-11(15)10(6-14)19-13(12)16-9-4-5-17(3)7-9/h8-9,16H,4-5,7,15H2,1-3H3
InChIKeyFFUYXAXPVAGEJF-UHFFFAOYSA-N
XLogP2.11
TPSA74.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.40
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-5-[(4-ethylcyclohexyl)amino]-4-propan-2-yloxythiophene-2-carbonitrile
CID 103508365
ethyl 4-amino-5-cyano-2-[(1-methylpyrrolidin-3-yl)amino]thiophene-3-carboxylate
CID 103508027
3-amino-5-[(1-methylpyrrolidin-2-yl)methylamino]-4-propan-2-yloxythiophene-2-carbonitrile
CID 106029516
5-N-(1-methylpiperidin-3-yl)-4-propan-2-yloxy-1,2-thiazole-3,5-diamine
CID 103359426
3-amino-4-methoxy-5-[(4-methylcyclohexyl)amino]thiophene-2-carbonitrile
CID 103426567
3-amino-5-[cyclobutylmethyl(methyl)amino]-4-propan-2-yloxythiophene-2-carbonitrile
CID 103421473
3-amino-5-[cyclopentylmethyl(methyl)amino]-4-propan-2-yloxythiophene-2-carbonitrile
CID 103422148
3-amino-5-(dimethylamino)-4-propan-2-yloxythiophene-2-carbonitrile
CID 103420224
3-amino-5-(4-methylazepan-1-yl)-4-propan-2-yloxythiophene-2-carbonitrile
CID 103422080
3-amino-5-[[2-(dimethylamino)-2-methylpropyl]amino]-4-propan-2-yloxythiophene-2-carbonitrile
CID 103508793
ethyl 4-amino-5-cyano-2-[(1-methylpyrrolidin-3-yl)methylamino]thiophene-3-carboxylate
CID 103431139
3-amino-5-[(3-methylphenyl)methylamino]-4-propan-2-yloxythiophene-2-carbonitrile
CID 103432138

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[(1-methylpyrrolidin-3-yl)amino]-4-propan-2-yloxythiophene-2-carbonitrile?
The IUPAC name of 3-amino-5-[(1-methylpyrrolidin-3-yl)amino]-4-propan-2-yloxythiophene-2-carbonitrile (CID 103508090) is 3-amino-5-[(1-methylpyrrolidin-3-yl)amino]-4-propan-2-yloxythiophene-2-carbonitrile.
What is the SMILES notation for 3-amino-5-[(1-methylpyrrolidin-3-yl)amino]-4-propan-2-yloxythiophene-2-carbonitrile?
The canonical SMILES for 3-amino-5-[(1-methylpyrrolidin-3-yl)amino]-4-propan-2-yloxythiophene-2-carbonitrile is CC(C)Oc1c(NC2CCN(C)C2)sc(C#N)c1N.
What is the InChIKey of 3-amino-5-[(1-methylpyrrolidin-3-yl)amino]-4-propan-2-yloxythiophene-2-carbonitrile?
The InChIKey is FFUYXAXPVAGEJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4OS/c1-8(2)18-12-11(15)10(6-14)19-13(12)16-9-4-5-17(3)7-9/h8-9,16H,4-5,7,15H2,1-3H3.
What are the key properties of 3-amino-5-[(1-methylpyrrolidin-3-yl)amino]-4-propan-2-yloxythiophene-2-carbonitrile?
3-amino-5-[(1-methylpyrrolidin-3-yl)amino]-4-propan-2-yloxythiophene-2-carbonitrile has a molecular weight of 280.40 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-[(1-methylpyrrolidin-3-yl)amino]-4-propan-2-yloxythiophene-2-carbonitrile is sourced from PubChem (CID 103508090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).