3-amino-4-methoxy-5-(octan-4-ylamino)thiophene-2-carbonitrile

C14H23N3OS — CID 106029269

IUPAC3-amino-4-methoxy-5-(octan-4-ylamino)thiophene-2-carbonitrile
SMILESCCCCC(CCC)Nc1sc(C#N)c(N)c1OC
InChIInChI=1S/C14H23N3OS/c1-4-6-8-10(7-5-2)17-14-13(18-3)12(16)11(9-15)19-14/h10,17H,4-8,16H2,1-3H3
InChIKeyWJAQIVHPWIPHGS-UHFFFAOYSA-N
MW281.42 g/mol
LogP3.98
Rot. Bonds8

About 3-amino-4-methoxy-5-(octan-4-ylamino)thiophene-2-carbonitrile

3-amino-4-methoxy-5-(octan-4-ylamino)thiophene-2-carbonitrile (PubChem CID 106029269) has the molecular formula C14H23N3OS and a molecular weight of 281.42 g/mol. Its IUPAC name is 3-amino-4-methoxy-5-(octan-4-ylamino)thiophene-2-carbonitrile.

Molecular Properties

Compound Name3-amino-4-methoxy-5-(octan-4-ylamino)thiophene-2-carbonitrile
PubChem CID106029269
Molecular FormulaC14H23N3OS
Molecular Weight281.42 g/mol
Exact Mass281.16
IUPAC Name3-amino-4-methoxy-5-(octan-4-ylamino)thiophene-2-carbonitrile
SMILESCCCCC(CCC)Nc1sc(C#N)c(N)c1OC
InChIInChI=1S/C14H23N3OS/c1-4-6-8-10(7-5-2)17-14-13(18-3)12(16)11(9-15)19-14/h10,17H,4-8,16H2,1-3H3
InChIKeyWJAQIVHPWIPHGS-UHFFFAOYSA-N
XLogP3.98
TPSA71.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-5-[5-(diethylamino)pentan-2-ylamino]-4-methoxythiophene-2-carbonitrile
CID 103425750
3-amino-5-(1-methoxybutan-2-ylamino)-4-propan-2-yloxythiophene-2-carbonitrile
CID 103508232
3-amino-4-cyano-5-(octan-4-ylamino)thiophene-2-carboxamide
CID 106029310
3-amino-4-cyano-N-methyl-5-(octan-4-ylamino)thiophene-2-carboxamide
CID 106029275
3-amino-5-[3-(dimethylamino)propylamino]-4-methoxythiophene-2-carbonitrile
CID 103426197
methyl 3-amino-4-methylsulfanyl-5-(octan-4-ylamino)thiophene-2-carboxylate
CID 106029271
3-amino-4-methoxy-5-[(4-methylcyclohexyl)amino]thiophene-2-carbonitrile
CID 103426567
3-amino-4-methoxy-5-(1-pyridin-3-ylethylamino)thiophene-2-carbonitrile
CID 103427472
3-methyl-5-(octan-4-ylamino)-1,2-thiazole-4-carbonitrile
CID 114138723
3-amino-4-methoxy-5-[(3-methylphenyl)methylamino]thiophene-2-carbonitrile
CID 103432129
1-[3-amino-4-methoxy-5-(pentan-3-ylamino)thiophen-2-yl]ethanone
CID 103424099
2-amino-4-(octan-4-ylamino)benzonitrile
CID 106022405

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-methoxy-5-(octan-4-ylamino)thiophene-2-carbonitrile?
The IUPAC name of 3-amino-4-methoxy-5-(octan-4-ylamino)thiophene-2-carbonitrile (CID 106029269) is 3-amino-4-methoxy-5-(octan-4-ylamino)thiophene-2-carbonitrile.
What is the SMILES notation for 3-amino-4-methoxy-5-(octan-4-ylamino)thiophene-2-carbonitrile?
The canonical SMILES for 3-amino-4-methoxy-5-(octan-4-ylamino)thiophene-2-carbonitrile is CCCCC(CCC)Nc1sc(C#N)c(N)c1OC.
What is the InChIKey of 3-amino-4-methoxy-5-(octan-4-ylamino)thiophene-2-carbonitrile?
The InChIKey is WJAQIVHPWIPHGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3OS/c1-4-6-8-10(7-5-2)17-14-13(18-3)12(16)11(9-15)19-14/h10,17H,4-8,16H2,1-3H3.
What are the key properties of 3-amino-4-methoxy-5-(octan-4-ylamino)thiophene-2-carbonitrile?
3-amino-4-methoxy-5-(octan-4-ylamino)thiophene-2-carbonitrile has a molecular weight of 281.42 g/mol, XLogP of 3.98, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-methoxy-5-(octan-4-ylamino)thiophene-2-carbonitrile is sourced from PubChem (CID 106029269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).