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

C10H15N3OS — CID 103420224

IUPAC3-amino-5-(dimethylamino)-4-propan-2-yloxythiophene-2-carbonitrile
SMILESCC(C)Oc1c(N(C)C)sc(C#N)c1N
InChIInChI=1S/C10H15N3OS/c1-6(2)14-9-8(12)7(5-11)15-10(9)13(3)4/h6H,12H2,1-4H3
InChIKeyPUZCBMHZUPDBFH-UHFFFAOYSA-N
MW225.32 g/mol
LogP2.06
Rot. Bonds3

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

3-amino-5-(dimethylamino)-4-propan-2-yloxythiophene-2-carbonitrile (PubChem CID 103420224) has the molecular formula C10H15N3OS and a molecular weight of 225.32 g/mol. Its IUPAC name is 3-amino-5-(dimethylamino)-4-propan-2-yloxythiophene-2-carbonitrile.

Molecular Properties

Compound Name3-amino-5-(dimethylamino)-4-propan-2-yloxythiophene-2-carbonitrile
PubChem CID103420224
Molecular FormulaC10H15N3OS
Molecular Weight225.32 g/mol
Exact Mass225.09
IUPAC Name3-amino-5-(dimethylamino)-4-propan-2-yloxythiophene-2-carbonitrile
SMILESCC(C)Oc1c(N(C)C)sc(C#N)c1N
InChIInChI=1S/C10H15N3OS/c1-6(2)14-9-8(12)7(5-11)15-10(9)13(3)4/h6H,12H2,1-4H3
InChIKeyPUZCBMHZUPDBFH-UHFFFAOYSA-N
XLogP2.06
TPSA62.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.32
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-5-[methyl(2,2,2-trifluoroethyl)amino]-4-propan-2-yloxythiophene-2-carbonitrile
CID 103509456
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
3-amino-5-[methyl(pyridin-4-ylmethyl)amino]-4-propan-2-yloxythiophene-2-carbonitrile
CID 103509301
3-amino-5-[methyl(pyridin-3-ylmethyl)amino]-4-propan-2-yloxythiophene-2-carbonitrile
CID 103509190
3-amino-5-[[2-(dimethylamino)-2-methylpropyl]amino]-4-propan-2-yloxythiophene-2-carbonitrile
CID 103508793
1-[3-amino-5-(dimethylamino)-4-propan-2-yloxythiophen-2-yl]-2-methylpropan-1-one
CID 103420277
3-amino-5-[(4-ethylcyclohexyl)amino]-4-propan-2-yloxythiophene-2-carbonitrile
CID 103508365
3-amino-5-[(1-methylpyrrolidin-3-yl)amino]-4-propan-2-yloxythiophene-2-carbonitrile
CID 103508090
3-amino-5-(1-methoxybutan-2-ylamino)-4-propan-2-yloxythiophene-2-carbonitrile
CID 103508232
3-amino-5-[(4-fluorophenyl)methylamino]-4-propan-2-yloxythiophene-2-carbonitrile
CID 103425991
3-amino-5-(4-methylazepan-1-yl)-4-propan-2-yloxythiophene-2-carbonitrile
CID 103422080

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(dimethylamino)-4-propan-2-yloxythiophene-2-carbonitrile?
The IUPAC name of 3-amino-5-(dimethylamino)-4-propan-2-yloxythiophene-2-carbonitrile (CID 103420224) is 3-amino-5-(dimethylamino)-4-propan-2-yloxythiophene-2-carbonitrile.
What is the SMILES notation for 3-amino-5-(dimethylamino)-4-propan-2-yloxythiophene-2-carbonitrile?
The canonical SMILES for 3-amino-5-(dimethylamino)-4-propan-2-yloxythiophene-2-carbonitrile is CC(C)Oc1c(N(C)C)sc(C#N)c1N.
What is the InChIKey of 3-amino-5-(dimethylamino)-4-propan-2-yloxythiophene-2-carbonitrile?
The InChIKey is PUZCBMHZUPDBFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3OS/c1-6(2)14-9-8(12)7(5-11)15-10(9)13(3)4/h6H,12H2,1-4H3.
What are the key properties of 3-amino-5-(dimethylamino)-4-propan-2-yloxythiophene-2-carbonitrile?
3-amino-5-(dimethylamino)-4-propan-2-yloxythiophene-2-carbonitrile has a molecular weight of 225.32 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(dimethylamino)-4-propan-2-yloxythiophene-2-carbonitrile is sourced from PubChem (CID 103420224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).