3-amino-5-[methyl-[(3-methylphenyl)methyl]amino]-4-methylsulfanylthiophene-2-carbonitrile

C15H17N3S2 — CID 103418165

IUPAC3-amino-5-[methyl-[(3-methylphenyl)methyl]amino]-4-methylsulfanylthiophene-2-carbonitrile
SMILESCSc1c(N(C)Cc2cccc(C)c2)sc(C#N)c1N
InChIInChI=1S/C15H17N3S2/c1-10-5-4-6-11(7-10)9-18(2)15-14(19-3)13(17)12(8-16)20-15/h4-7H,9,17H2,1-3H3
InChIKeyZWVSDJDJIUYKJG-UHFFFAOYSA-N
MW303.46 g/mol
LogP3.87
Rot. Bonds4

About 3-amino-5-[methyl-[(3-methylphenyl)methyl]amino]-4-methylsulfanylthiophene-2-carbonitrile

3-amino-5-[methyl-[(3-methylphenyl)methyl]amino]-4-methylsulfanylthiophene-2-carbonitrile (PubChem CID 103418165) has the molecular formula C15H17N3S2 and a molecular weight of 303.46 g/mol. Its IUPAC name is 3-amino-5-[methyl-[(3-methylphenyl)methyl]amino]-4-methylsulfanylthiophene-2-carbonitrile.

Molecular Properties

Compound Name3-amino-5-[methyl-[(3-methylphenyl)methyl]amino]-4-methylsulfanylthiophene-2-carbonitrile
PubChem CID103418165
Molecular FormulaC15H17N3S2
Molecular Weight303.46 g/mol
Exact Mass303.09
IUPAC Name3-amino-5-[methyl-[(3-methylphenyl)methyl]amino]-4-methylsulfanylthiophene-2-carbonitrile
SMILESCSc1c(N(C)Cc2cccc(C)c2)sc(C#N)c1N
InChIInChI=1S/C15H17N3S2/c1-10-5-4-6-11(7-10)9-18(2)15-14(19-3)13(17)12(8-16)20-15/h4-7H,9,17H2,1-3H3
InChIKeyZWVSDJDJIUYKJG-UHFFFAOYSA-N
XLogP3.87
TPSA53.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.46
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-amino-5-[methyl-[(3-methylphenyl)methyl]amino]-4-methylsulfanylthiophen-2-yl]ethanone
CID 103418163
3-amino-5-[(3-bromophenyl)methyl-methylamino]-4-cyclopropylthiophene-2-carbonitrile
CID 103526611
3-amino-5-[ethyl(pyridin-2-ylmethyl)amino]-4-methylsulfanylthiophene-2-carbonitrile
CID 103505484
3-amino-5-[methyl(pyridin-3-ylmethyl)amino]-4-methylsulfonylthiophene-2-carbonitrile
CID 103509183
1-[3-amino-5-[benzyl(methyl)amino]-4-methylsulfanylthiophen-2-yl]propan-1-one
CID 103420298
3-amino-4-cyano-5-[(3-fluorophenyl)methyl-methylamino]thiophene-2-carboxamide
CID 103420730
3-amino-4-methoxy-5-[(3-methylphenyl)methylamino]thiophene-2-carbonitrile
CID 103432129
4-[methyl-[(3-methylphenyl)methyl]amino]pyridine-2-carbonitrile
CID 62925132
3-[[methyl-[(3-methylphenyl)methyl]amino]methyl]aniline
CID 43383732
3-amino-5-[(3-methylphenyl)methylamino]-4-propan-2-yloxythiophene-2-carbonitrile
CID 103432138
5-N-methyl-5-N-[(3-methylphenyl)methyl]-4-propan-2-yloxy-1,2-thiazole-3,5-diamine
CID 103361936
2-N-methyl-2-N-[(3-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 116796777

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[methyl-[(3-methylphenyl)methyl]amino]-4-methylsulfanylthiophene-2-carbonitrile?
The IUPAC name of 3-amino-5-[methyl-[(3-methylphenyl)methyl]amino]-4-methylsulfanylthiophene-2-carbonitrile (CID 103418165) is 3-amino-5-[methyl-[(3-methylphenyl)methyl]amino]-4-methylsulfanylthiophene-2-carbonitrile.
What is the SMILES notation for 3-amino-5-[methyl-[(3-methylphenyl)methyl]amino]-4-methylsulfanylthiophene-2-carbonitrile?
The canonical SMILES for 3-amino-5-[methyl-[(3-methylphenyl)methyl]amino]-4-methylsulfanylthiophene-2-carbonitrile is CSc1c(N(C)Cc2cccc(C)c2)sc(C#N)c1N.
What is the InChIKey of 3-amino-5-[methyl-[(3-methylphenyl)methyl]amino]-4-methylsulfanylthiophene-2-carbonitrile?
The InChIKey is ZWVSDJDJIUYKJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3S2/c1-10-5-4-6-11(7-10)9-18(2)15-14(19-3)13(17)12(8-16)20-15/h4-7H,9,17H2,1-3H3.
What are the key properties of 3-amino-5-[methyl-[(3-methylphenyl)methyl]amino]-4-methylsulfanylthiophene-2-carbonitrile?
3-amino-5-[methyl-[(3-methylphenyl)methyl]amino]-4-methylsulfanylthiophene-2-carbonitrile has a molecular weight of 303.46 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-[methyl-[(3-methylphenyl)methyl]amino]-4-methylsulfanylthiophene-2-carbonitrile is sourced from PubChem (CID 103418165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).