3-amino-5-(cyclopentylamino)thiophene-2,4-dicarboxamide

C11H16N4O2S — CID 103423923

IUPAC3-amino-5-(cyclopentylamino)thiophene-2,4-dicarboxamide
SMILESNC(=O)c1sc(NC2CCCC2)c(C(N)=O)c1N
InChIInChI=1S/C11H16N4O2S/c12-7-6(9(13)16)11(18-8(7)10(14)17)15-5-3-1-2-4-5/h5,15H,1-4,12H2,(H2,13,16)(H2,14,17)
InChIKeyAQKYYPLEYLVTJB-UHFFFAOYSA-N
MW268.34 g/mol
LogP0.88
Rot. Bonds4

About 3-amino-5-(cyclopentylamino)thiophene-2,4-dicarboxamide

3-amino-5-(cyclopentylamino)thiophene-2,4-dicarboxamide (PubChem CID 103423923) has the molecular formula C11H16N4O2S and a molecular weight of 268.34 g/mol. Its IUPAC name is 3-amino-5-(cyclopentylamino)thiophene-2,4-dicarboxamide.

Molecular Properties

Compound Name3-amino-5-(cyclopentylamino)thiophene-2,4-dicarboxamide
PubChem CID103423923
Molecular FormulaC11H16N4O2S
Molecular Weight268.34 g/mol
Exact Mass268.10
IUPAC Name3-amino-5-(cyclopentylamino)thiophene-2,4-dicarboxamide
SMILESNC(=O)c1sc(NC2CCCC2)c(C(N)=O)c1N
InChIInChI=1S/C11H16N4O2S/c12-7-6(9(13)16)11(18-8(7)10(14)17)15-5-3-1-2-4-5/h5,15H,1-4,12H2,(H2,13,16)(H2,14,17)
InChIKeyAQKYYPLEYLVTJB-UHFFFAOYSA-N
XLogP0.88
TPSA124.23 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 50.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

3,4-diamino-5-(cyclopentylamino)thiophene-2-carboxamide
CID 70956563
4-amino-2-(cycloheptylamino)-5-propanoylthiophene-3-carboxamide
CID 103427111
3-amino-5-(cyclopentylamino)-2-N-propylthiophene-2,4-dicarboxamide
CID 103423956
dimethyl 3-amino-5-(cyclopentylamino)thiophene-2,4-dicarboxylate
CID 103423919
ethyl 4-amino-5-carbamoyl-2-(cyclopropylamino)thiophene-3-carboxylate
CID 103423694
4-amino-5-cyano-2-(cyclobutylamino)thiophene-3-carboxamide
CID 103525923
4-amino-2-[(4-hydroxycyclohexyl)amino]-5-propanoylthiophene-3-carboxamide
CID 103424714
4-amino-2-(cyclopentylamino)-5-(cyclopropanecarbonyl)-N-methylthiophene-3-carboxamide
CID 103423944
3-amino-5-(cyclobutylamino)-2-N-cyclopropyl-4-N-methylthiophene-2,4-dicarboxamide
CID 103525933
ethyl 3-amino-4-carbamoyl-5-[(1-methylpyrrolidin-3-yl)amino]thiophene-2-carboxylate
CID 103508099
3-amino-5-[(4-hydroxycyclohexyl)amino]-4-methoxythiophene-2-carboxamide
CID 103424749
3-amino-5-[(4-methylcyclohexyl)amino]-4-methylsulfonylthiophene-2-carboxamide
CID 103426574

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(cyclopentylamino)thiophene-2,4-dicarboxamide?
The IUPAC name of 3-amino-5-(cyclopentylamino)thiophene-2,4-dicarboxamide (CID 103423923) is 3-amino-5-(cyclopentylamino)thiophene-2,4-dicarboxamide.
What is the SMILES notation for 3-amino-5-(cyclopentylamino)thiophene-2,4-dicarboxamide?
The canonical SMILES for 3-amino-5-(cyclopentylamino)thiophene-2,4-dicarboxamide is NC(=O)c1sc(NC2CCCC2)c(C(N)=O)c1N.
What is the InChIKey of 3-amino-5-(cyclopentylamino)thiophene-2,4-dicarboxamide?
The InChIKey is AQKYYPLEYLVTJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2S/c12-7-6(9(13)16)11(18-8(7)10(14)17)15-5-3-1-2-4-5/h5,15H,1-4,12H2,(H2,13,16)(H2,14,17).
What are the key properties of 3-amino-5-(cyclopentylamino)thiophene-2,4-dicarboxamide?
3-amino-5-(cyclopentylamino)thiophene-2,4-dicarboxamide has a molecular weight of 268.34 g/mol, XLogP of 0.88, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(cyclopentylamino)thiophene-2,4-dicarboxamide is sourced from PubChem (CID 103423923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).