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

C14H22N4OS — CID 106029516

IUPAC3-amino-5-[(1-methylpyrrolidin-2-yl)methylamino]-4-propan-2-yloxythiophene-2-carbonitrile
SMILESCC(C)Oc1c(NCC2CCCN2C)sc(C#N)c1N
InChIInChI=1S/C14H22N4OS/c1-9(2)19-13-12(16)11(7-15)20-14(13)17-8-10-5-4-6-18(10)3/h9-10,17H,4-6,8,16H2,1-3H3
InChIKeyDIFPRICXHAYQAK-UHFFFAOYSA-N
MW294.42 g/mol
LogP2.50
Rot. Bonds5

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

3-amino-5-[(1-methylpyrrolidin-2-yl)methylamino]-4-propan-2-yloxythiophene-2-carbonitrile (PubChem CID 106029516) has the molecular formula C14H22N4OS and a molecular weight of 294.42 g/mol. Its IUPAC name is 3-amino-5-[(1-methylpyrrolidin-2-yl)methylamino]-4-propan-2-yloxythiophene-2-carbonitrile.

Molecular Properties

Compound Name3-amino-5-[(1-methylpyrrolidin-2-yl)methylamino]-4-propan-2-yloxythiophene-2-carbonitrile
PubChem CID106029516
Molecular FormulaC14H22N4OS
Molecular Weight294.42 g/mol
Exact Mass294.15
IUPAC Name3-amino-5-[(1-methylpyrrolidin-2-yl)methylamino]-4-propan-2-yloxythiophene-2-carbonitrile
SMILESCC(C)Oc1c(NCC2CCCN2C)sc(C#N)c1N
InChIInChI=1S/C14H22N4OS/c1-9(2)19-13-12(16)11(7-15)20-14(13)17-8-10-5-4-6-18(10)3/h9-10,17H,4-6,8,16H2,1-3H3
InChIKeyDIFPRICXHAYQAK-UHFFFAOYSA-N
XLogP2.50
TPSA74.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-4-methoxy-5-[(1-methylpyrrolidin-2-yl)methylamino]thiophene-2-carbonitrile
CID 106029415
5-acetyl-4-amino-2-[(1-methylpyrrolidin-2-yl)methylamino]thiophene-3-carbonitrile
CID 106029461
3-amino-5-(4-methylazepan-1-yl)-4-propan-2-yloxythiophene-2-carbonitrile
CID 103422080
3-amino-5-[(3-methylphenyl)methylamino]-4-propan-2-yloxythiophene-2-carbonitrile
CID 103432138
3-amino-5-[cyclobutylmethyl(methyl)amino]-4-propan-2-yloxythiophene-2-carbonitrile
CID 103421473
2-N-[(1-methylpyrrolidin-2-yl)methyl]pyrazine-2,5-diamine
CID 106028605
2-amino-3-[(1-methylpiperidin-2-yl)methylamino]benzonitrile
CID 104716575
3-amino-5-(dimethylamino)-4-propan-2-yloxythiophene-2-carbonitrile
CID 103420224
N-[(1-methylpyrrolidin-2-yl)methyl]-4-propan-2-yloxypyrimidin-2-amine
CID 114138482
3-amino-4-methoxy-5-(2-morpholin-4-ylethylamino)thiophene-2-carbonitrile
CID 103426135
methyl 4-amino-5-cyano-2-[(1-methylpyrrolidin-3-yl)methylamino]thiophene-3-carboxylate
CID 103431148
1-cyclohexyl-N-[(1-methylpyrrolidin-2-yl)methyl]ethanamine
CID 115676562

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[(1-methylpyrrolidin-2-yl)methylamino]-4-propan-2-yloxythiophene-2-carbonitrile?
The IUPAC name of 3-amino-5-[(1-methylpyrrolidin-2-yl)methylamino]-4-propan-2-yloxythiophene-2-carbonitrile (CID 106029516) is 3-amino-5-[(1-methylpyrrolidin-2-yl)methylamino]-4-propan-2-yloxythiophene-2-carbonitrile.
What is the SMILES notation for 3-amino-5-[(1-methylpyrrolidin-2-yl)methylamino]-4-propan-2-yloxythiophene-2-carbonitrile?
The canonical SMILES for 3-amino-5-[(1-methylpyrrolidin-2-yl)methylamino]-4-propan-2-yloxythiophene-2-carbonitrile is CC(C)Oc1c(NCC2CCCN2C)sc(C#N)c1N.
What is the InChIKey of 3-amino-5-[(1-methylpyrrolidin-2-yl)methylamino]-4-propan-2-yloxythiophene-2-carbonitrile?
The InChIKey is DIFPRICXHAYQAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4OS/c1-9(2)19-13-12(16)11(7-15)20-14(13)17-8-10-5-4-6-18(10)3/h9-10,17H,4-6,8,16H2,1-3H3.
What are the key properties of 3-amino-5-[(1-methylpyrrolidin-2-yl)methylamino]-4-propan-2-yloxythiophene-2-carbonitrile?
3-amino-5-[(1-methylpyrrolidin-2-yl)methylamino]-4-propan-2-yloxythiophene-2-carbonitrile has a molecular weight of 294.42 g/mol, XLogP of 2.50, 5 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-2-yl)methylamino]-4-propan-2-yloxythiophene-2-carbonitrile is sourced from PubChem (CID 106029516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).