3-amino-4-methoxy-5-(2-morpholin-4-ylethylamino)thiophene-2-carbonitrile

C12H18N4O2S — CID 103426135

IUPAC3-amino-4-methoxy-5-(2-morpholin-4-ylethylamino)thiophene-2-carbonitrile
SMILESCOc1c(NCCN2CCOCC2)sc(C#N)c1N
InChIInChI=1S/C12H18N4O2S/c1-17-11-10(14)9(8-13)19-12(11)15-2-3-16-4-6-18-7-5-16/h15H,2-7,14H2,1H3
InChIKeyCLSQTNHEPJTMQR-UHFFFAOYSA-N
MW282.37 g/mol
LogP0.95
Rot. Bonds5

About 3-amino-4-methoxy-5-(2-morpholin-4-ylethylamino)thiophene-2-carbonitrile

3-amino-4-methoxy-5-(2-morpholin-4-ylethylamino)thiophene-2-carbonitrile (PubChem CID 103426135) has the molecular formula C12H18N4O2S and a molecular weight of 282.37 g/mol. Its IUPAC name is 3-amino-4-methoxy-5-(2-morpholin-4-ylethylamino)thiophene-2-carbonitrile.

Molecular Properties

Compound Name3-amino-4-methoxy-5-(2-morpholin-4-ylethylamino)thiophene-2-carbonitrile
PubChem CID103426135
Molecular FormulaC12H18N4O2S
Molecular Weight282.37 g/mol
Exact Mass282.12
IUPAC Name3-amino-4-methoxy-5-(2-morpholin-4-ylethylamino)thiophene-2-carbonitrile
SMILESCOc1c(NCCN2CCOCC2)sc(C#N)c1N
InChIInChI=1S/C12H18N4O2S/c1-17-11-10(14)9(8-13)19-12(11)15-2-3-16-4-6-18-7-5-16/h15H,2-7,14H2,1H3
InChIKeyCLSQTNHEPJTMQR-UHFFFAOYSA-N
XLogP0.95
TPSA83.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-amino-4-methoxy-5-[(1-methylpyrrolidin-2-yl)methylamino]thiophene-2-carbonitrile
CID 106029415
3-amino-4-methoxy-5-(1,4-oxazepan-4-yl)thiophene-2-carbonitrile
CID 103421786
3-amino-5-[2-(4-methylpiperazin-1-yl)ethylamino]-4-methylsulfanylthiophene-2-carbonitrile
CID 103432405
3-amino-4-methoxy-5-[(3-methylphenyl)methylamino]thiophene-2-carbonitrile
CID 103432129
2-(2-morpholin-4-ylethylamino)acetonitrile
CID 28583059
methyl 3-amino-5-(2-morpholin-4-ylethylamino)-1,2-thiazole-4-carboxylate
CID 103382611
4-methoxy-5,7-dimethyl-N-(2-morpholin-4-ylethyl)-1,3-benzothiazol-2-amine
CID 82548601
ethane;5-methyl-N-(2-morpholin-4-ylethyl)-1,3-thiazol-2-amine
CID 143962241
3-amino-5-[(1-methylpyrrolidin-2-yl)methylamino]-4-propan-2-yloxythiophene-2-carbonitrile
CID 106029516
3-amino-4-methoxy-5-(octan-4-ylamino)thiophene-2-carbonitrile
CID 106029269
2-methoxy-4-[(2-morpholin-4-ylethylamino)methyl]benzonitrile
CID 106786936
5-(2-morpholin-4-ylethylamino)-2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1,3-oxazole-4-carbonitrile
CID 6200420

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-methoxy-5-(2-morpholin-4-ylethylamino)thiophene-2-carbonitrile?
The IUPAC name of 3-amino-4-methoxy-5-(2-morpholin-4-ylethylamino)thiophene-2-carbonitrile (CID 103426135) is 3-amino-4-methoxy-5-(2-morpholin-4-ylethylamino)thiophene-2-carbonitrile.
What is the SMILES notation for 3-amino-4-methoxy-5-(2-morpholin-4-ylethylamino)thiophene-2-carbonitrile?
The canonical SMILES for 3-amino-4-methoxy-5-(2-morpholin-4-ylethylamino)thiophene-2-carbonitrile is COc1c(NCCN2CCOCC2)sc(C#N)c1N.
What is the InChIKey of 3-amino-4-methoxy-5-(2-morpholin-4-ylethylamino)thiophene-2-carbonitrile?
The InChIKey is CLSQTNHEPJTMQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2S/c1-17-11-10(14)9(8-13)19-12(11)15-2-3-16-4-6-18-7-5-16/h15H,2-7,14H2,1H3.
What are the key properties of 3-amino-4-methoxy-5-(2-morpholin-4-ylethylamino)thiophene-2-carbonitrile?
3-amino-4-methoxy-5-(2-morpholin-4-ylethylamino)thiophene-2-carbonitrile has a molecular weight of 282.37 g/mol, XLogP of 0.95, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-methoxy-5-(2-morpholin-4-ylethylamino)thiophene-2-carbonitrile is sourced from PubChem (CID 103426135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).