4-amino-5-(cyclopropanecarbonyl)-2-[methyl(2-methylpropyl)amino]thiophene-3-carbonitrile

C14H19N3OS — CID 103421117

IUPAC4-amino-5-(cyclopropanecarbonyl)-2-[methyl(2-methylpropyl)amino]thiophene-3-carbonitrile
SMILESCC(C)CN(C)c1sc(C(=O)C2CC2)c(N)c1C#N
InChIInChI=1S/C14H19N3OS/c1-8(2)7-17(3)14-10(6-15)11(16)13(19-14)12(18)9-4-5-9/h8-9H,4-5,7,16H2,1-3H3
InChIKeyAPNHGFRLJDRGMN-UHFFFAOYSA-N
MW277.39 g/mol
LogP2.89
Rot. Bonds5

About 4-amino-5-(cyclopropanecarbonyl)-2-[methyl(2-methylpropyl)amino]thiophene-3-carbonitrile

4-amino-5-(cyclopropanecarbonyl)-2-[methyl(2-methylpropyl)amino]thiophene-3-carbonitrile (PubChem CID 103421117) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is 4-amino-5-(cyclopropanecarbonyl)-2-[methyl(2-methylpropyl)amino]thiophene-3-carbonitrile.

Molecular Properties

Compound Name4-amino-5-(cyclopropanecarbonyl)-2-[methyl(2-methylpropyl)amino]thiophene-3-carbonitrile
PubChem CID103421117
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC Name4-amino-5-(cyclopropanecarbonyl)-2-[methyl(2-methylpropyl)amino]thiophene-3-carbonitrile
SMILESCC(C)CN(C)c1sc(C(=O)C2CC2)c(N)c1C#N
InChIInChI=1S/C14H19N3OS/c1-8(2)7-17(3)14-10(6-15)11(16)13(19-14)12(18)9-4-5-9/h8-9H,4-5,7,16H2,1-3H3
InChIKeyAPNHGFRLJDRGMN-UHFFFAOYSA-N
XLogP2.89
TPSA70.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-acetyl-4-amino-2-[bis(2-methylpropyl)amino]thiophene-3-carbonitrile
CID 103509838
[3-amino-5-[methyl(3-methylbutyl)amino]-4-methylsulfanylthiophen-2-yl]-cyclopropylmethanone
CID 103417890
4-amino-2-[2-(dimethylamino)ethyl-methylamino]-5-(2-methylpropanoyl)thiophene-3-carbonitrile
CID 103422268
3-amino-4-cyano-5-[2-(dimethylamino)ethyl-methylamino]thiophene-2-carboxamide
CID 103422217
4-amino-5-(cyclopropanecarbonyl)-2-(3-hydroxypyrrolidin-1-yl)thiophene-3-carbonitrile
CID 103421553
3-amino-4-cyano-N-cyclopropyl-5-[2-(dimethylamino)ethyl-methylamino]thiophene-2-carboxamide
CID 103422176
3-amino-4-cyano-5-[methyl(propyl)amino]thiophene-2-carboxamide
CID 103421295
4-amino-2-[methyl(2,2,2-trifluoroethyl)amino]-5-propanoylthiophene-3-carbonitrile
CID 103509469
1-[3-amino-4-methoxy-5-[methyl(2-methylpropyl)amino]thiophen-2-yl]propan-1-one
CID 103421218
3-amino-4-cyano-5-[2-(dimethylamino)ethyl-methylamino]-N,N-dimethylthiophene-2-carboxamide
CID 103422252
5-acetyl-4-amino-2-[butyl(methyl)amino]thiophene-3-carbonitrile
CID 103420406
[3-amino-5-[bis(2-methylpropyl)amino]thiophen-2-yl]-cyclopropylmethanone
CID 103509848

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-(cyclopropanecarbonyl)-2-[methyl(2-methylpropyl)amino]thiophene-3-carbonitrile?
The IUPAC name of 4-amino-5-(cyclopropanecarbonyl)-2-[methyl(2-methylpropyl)amino]thiophene-3-carbonitrile (CID 103421117) is 4-amino-5-(cyclopropanecarbonyl)-2-[methyl(2-methylpropyl)amino]thiophene-3-carbonitrile.
What is the SMILES notation for 4-amino-5-(cyclopropanecarbonyl)-2-[methyl(2-methylpropyl)amino]thiophene-3-carbonitrile?
The canonical SMILES for 4-amino-5-(cyclopropanecarbonyl)-2-[methyl(2-methylpropyl)amino]thiophene-3-carbonitrile is CC(C)CN(C)c1sc(C(=O)C2CC2)c(N)c1C#N.
What is the InChIKey of 4-amino-5-(cyclopropanecarbonyl)-2-[methyl(2-methylpropyl)amino]thiophene-3-carbonitrile?
The InChIKey is APNHGFRLJDRGMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS/c1-8(2)7-17(3)14-10(6-15)11(16)13(19-14)12(18)9-4-5-9/h8-9H,4-5,7,16H2,1-3H3.
What are the key properties of 4-amino-5-(cyclopropanecarbonyl)-2-[methyl(2-methylpropyl)amino]thiophene-3-carbonitrile?
4-amino-5-(cyclopropanecarbonyl)-2-[methyl(2-methylpropyl)amino]thiophene-3-carbonitrile has a molecular weight of 277.39 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-(cyclopropanecarbonyl)-2-[methyl(2-methylpropyl)amino]thiophene-3-carbonitrile is sourced from PubChem (CID 103421117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).