3-amino-5-[[2-(dimethylamino)-2-methylpropyl]amino]-4-propan-2-yloxythiophene-2-carbonitrile

C14H24N4OS — CID 103508793

IUPAC3-amino-5-[[2-(dimethylamino)-2-methylpropyl]amino]-4-propan-2-yloxythiophene-2-carbonitrile
SMILESCC(C)Oc1c(NCC(C)(C)N(C)C)sc(C#N)c1N
InChIInChI=1S/C14H24N4OS/c1-9(2)19-12-11(16)10(7-15)20-13(12)17-8-14(3,4)18(5)6/h9,17H,8,16H2,1-6H3
InChIKeyOOBBHSAXDIOXHD-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.74
Rot. Bonds6

About 3-amino-5-[[2-(dimethylamino)-2-methylpropyl]amino]-4-propan-2-yloxythiophene-2-carbonitrile

3-amino-5-[[2-(dimethylamino)-2-methylpropyl]amino]-4-propan-2-yloxythiophene-2-carbonitrile (PubChem CID 103508793) has the molecular formula C14H24N4OS and a molecular weight of 296.44 g/mol. Its IUPAC name is 3-amino-5-[[2-(dimethylamino)-2-methylpropyl]amino]-4-propan-2-yloxythiophene-2-carbonitrile.

Molecular Properties

Compound Name3-amino-5-[[2-(dimethylamino)-2-methylpropyl]amino]-4-propan-2-yloxythiophene-2-carbonitrile
PubChem CID103508793
Molecular FormulaC14H24N4OS
Molecular Weight296.44 g/mol
Exact Mass296.17
IUPAC Name3-amino-5-[[2-(dimethylamino)-2-methylpropyl]amino]-4-propan-2-yloxythiophene-2-carbonitrile
SMILESCC(C)Oc1c(NCC(C)(C)N(C)C)sc(C#N)c1N
InChIInChI=1S/C14H24N4OS/c1-9(2)19-12-11(16)10(7-15)20-13(12)17-8-14(3,4)18(5)6/h9,17H,8,16H2,1-6H3
InChIKeyOOBBHSAXDIOXHD-UHFFFAOYSA-N
XLogP2.74
TPSA74.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-5-[[2-(dimethylamino)-2-methylpropyl]amino]-4-ethylsulfonylthiophene-2-carbonitrile
CID 103508804
3-amino-5-[(4-fluorophenyl)methylamino]-4-propan-2-yloxythiophene-2-carbonitrile
CID 103425991
3-amino-5-(dimethylamino)-4-propan-2-yloxythiophene-2-carbonitrile
CID 103420224
3-amino-5-[(3-methylphenyl)methylamino]-4-propan-2-yloxythiophene-2-carbonitrile
CID 103432138
3-amino-5-[methyl(2,2,2-trifluoroethyl)amino]-4-propan-2-yloxythiophene-2-carbonitrile
CID 103509456
3-amino-5-[(1-methylpyrrolidin-2-yl)methylamino]-4-propan-2-yloxythiophene-2-carbonitrile
CID 106029516
3-amino-5-(1-methoxybutan-2-ylamino)-4-propan-2-yloxythiophene-2-carbonitrile
CID 103508232
3-amino-5-[(4-ethylcyclohexyl)amino]-4-propan-2-yloxythiophene-2-carbonitrile
CID 103508365
3-amino-5-[methyl(pyridin-4-ylmethyl)amino]-4-propan-2-yloxythiophene-2-carbonitrile
CID 103509301
3-amino-5-[3-(dimethylamino)propylamino]-4-methoxythiophene-2-carbonitrile
CID 103426197
3-amino-5-[cyclopentylmethyl(methyl)amino]-4-propan-2-yloxythiophene-2-carbonitrile
CID 103422148
3-amino-5-[cyclobutylmethyl(methyl)amino]-4-propan-2-yloxythiophene-2-carbonitrile
CID 103421473

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[[2-(dimethylamino)-2-methylpropyl]amino]-4-propan-2-yloxythiophene-2-carbonitrile?
The IUPAC name of 3-amino-5-[[2-(dimethylamino)-2-methylpropyl]amino]-4-propan-2-yloxythiophene-2-carbonitrile (CID 103508793) is 3-amino-5-[[2-(dimethylamino)-2-methylpropyl]amino]-4-propan-2-yloxythiophene-2-carbonitrile.
What is the SMILES notation for 3-amino-5-[[2-(dimethylamino)-2-methylpropyl]amino]-4-propan-2-yloxythiophene-2-carbonitrile?
The canonical SMILES for 3-amino-5-[[2-(dimethylamino)-2-methylpropyl]amino]-4-propan-2-yloxythiophene-2-carbonitrile is CC(C)Oc1c(NCC(C)(C)N(C)C)sc(C#N)c1N.
What is the InChIKey of 3-amino-5-[[2-(dimethylamino)-2-methylpropyl]amino]-4-propan-2-yloxythiophene-2-carbonitrile?
The InChIKey is OOBBHSAXDIOXHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4OS/c1-9(2)19-12-11(16)10(7-15)20-13(12)17-8-14(3,4)18(5)6/h9,17H,8,16H2,1-6H3.
What are the key properties of 3-amino-5-[[2-(dimethylamino)-2-methylpropyl]amino]-4-propan-2-yloxythiophene-2-carbonitrile?
3-amino-5-[[2-(dimethylamino)-2-methylpropyl]amino]-4-propan-2-yloxythiophene-2-carbonitrile has a molecular weight of 296.44 g/mol, XLogP of 2.74, 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-(dimethylamino)-2-methylpropyl]amino]-4-propan-2-yloxythiophene-2-carbonitrile is sourced from PubChem (CID 103508793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).