3-amino-5-[(3-methoxyphenyl)methylamino]thiophene-2,4-dicarbonitrile

C14H12N4OS — CID 103431171

IUPAC3-amino-5-[(3-methoxyphenyl)methylamino]thiophene-2,4-dicarbonitrile
SMILESCOc1cccc(CNc2sc(C#N)c(N)c2C#N)c1
InChIInChI=1S/C14H12N4OS/c1-19-10-4-2-3-9(5-10)8-18-14-11(6-15)13(17)12(7-16)20-14/h2-5,18H,8,17H2,1H3
InChIKeyWRPLOIVPHKAYRW-UHFFFAOYSA-N
MW284.34 g/mol
LogP2.69
Rot. Bonds4

About 3-amino-5-[(3-methoxyphenyl)methylamino]thiophene-2,4-dicarbonitrile

3-amino-5-[(3-methoxyphenyl)methylamino]thiophene-2,4-dicarbonitrile (PubChem CID 103431171) has the molecular formula C14H12N4OS and a molecular weight of 284.34 g/mol. Its IUPAC name is 3-amino-5-[(3-methoxyphenyl)methylamino]thiophene-2,4-dicarbonitrile.

Molecular Properties

Compound Name3-amino-5-[(3-methoxyphenyl)methylamino]thiophene-2,4-dicarbonitrile
PubChem CID103431171
Molecular FormulaC14H12N4OS
Molecular Weight284.34 g/mol
Exact Mass284.07
IUPAC Name3-amino-5-[(3-methoxyphenyl)methylamino]thiophene-2,4-dicarbonitrile
SMILESCOc1cccc(CNc2sc(C#N)c(N)c2C#N)c1
InChIInChI=1S/C14H12N4OS/c1-19-10-4-2-3-9(5-10)8-18-14-11(6-15)13(17)12(7-16)20-14/h2-5,18H,8,17H2,1H3
InChIKeyWRPLOIVPHKAYRW-UHFFFAOYSA-N
XLogP2.69
TPSA94.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-4-methoxy-5-[(3-methylphenyl)methylamino]thiophene-2-carbonitrile
CID 103432129
3-amino-5-[(4-fluorophenyl)methylamino]thiophene-2,4-dicarbonitrile
CID 103425980
2-bromo-6-[(3-methoxyphenyl)methylamino]benzonitrile
CID 114880674
3-[(3-methoxyphenyl)methylamino]-5,6-dimethylpyridazine-4-carbonitrile
CID 31535514
3-amino-5-[2-(3-methoxyphenyl)ethylamino]-1,2-thiazole-4-carbonitrile
CID 107855816
3-fluoro-1-N-[(3-methoxyphenyl)methyl]benzene-1,2-diamine
CID 54911085
3-methoxy-4-[(3-methoxyphenyl)methylamino]benzonitrile
CID 104843645
3-amino-5-(benzylamino)-4-cyano-N-ethylthiophene-2-carboxamide
CID 103424930
ethane;1-(3-methoxyphenyl)-N-methylmethanamine
CID 142908093
1-[3-amino-4-methoxy-5-[(3-methylphenyl)methylamino]thiophen-2-yl]ethanone
CID 103432141
2-fluoro-4-[(3-methoxyphenyl)methylamino]benzonitrile
CID 115367213
5-acetyl-4-amino-2-[(4-methylphenyl)methylamino]thiophene-3-carbonitrile
CID 103426327

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[(3-methoxyphenyl)methylamino]thiophene-2,4-dicarbonitrile?
The IUPAC name of 3-amino-5-[(3-methoxyphenyl)methylamino]thiophene-2,4-dicarbonitrile (CID 103431171) is 3-amino-5-[(3-methoxyphenyl)methylamino]thiophene-2,4-dicarbonitrile.
What is the SMILES notation for 3-amino-5-[(3-methoxyphenyl)methylamino]thiophene-2,4-dicarbonitrile?
The canonical SMILES for 3-amino-5-[(3-methoxyphenyl)methylamino]thiophene-2,4-dicarbonitrile is COc1cccc(CNc2sc(C#N)c(N)c2C#N)c1.
What is the InChIKey of 3-amino-5-[(3-methoxyphenyl)methylamino]thiophene-2,4-dicarbonitrile?
The InChIKey is WRPLOIVPHKAYRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4OS/c1-19-10-4-2-3-9(5-10)8-18-14-11(6-15)13(17)12(7-16)20-14/h2-5,18H,8,17H2,1H3.
What are the key properties of 3-amino-5-[(3-methoxyphenyl)methylamino]thiophene-2,4-dicarbonitrile?
3-amino-5-[(3-methoxyphenyl)methylamino]thiophene-2,4-dicarbonitrile has a molecular weight of 284.34 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-[(3-methoxyphenyl)methylamino]thiophene-2,4-dicarbonitrile is sourced from PubChem (CID 103431171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).