3,4-diamino-5-(cyclopentylamino)thiophene-2-carboxamide

C10H16N4OS — CID 70956563

IUPAC3,4-diamino-5-(cyclopentylamino)thiophene-2-carboxamide
SMILESNC(=O)c1sc(NC2CCCC2)c(N)c1N
InChIInChI=1S/C10H16N4OS/c11-6-7(12)10(16-8(6)9(13)15)14-5-3-1-2-4-5/h5,14H,1-4,11-12H2,(H2,13,15)
InChIKeyJJEHOYKTUVYMFS-UHFFFAOYSA-N
MW240.33 g/mol
LogP1.37
Rot. Bonds3

About 3,4-diamino-5-(cyclopentylamino)thiophene-2-carboxamide

3,4-diamino-5-(cyclopentylamino)thiophene-2-carboxamide (PubChem CID 70956563) has the molecular formula C10H16N4OS and a molecular weight of 240.33 g/mol. Its IUPAC name is 3,4-diamino-5-(cyclopentylamino)thiophene-2-carboxamide.

Molecular Properties

Compound Name3,4-diamino-5-(cyclopentylamino)thiophene-2-carboxamide
PubChem CID70956563
Molecular FormulaC10H16N4OS
Molecular Weight240.33 g/mol
Exact Mass240.10
IUPAC Name3,4-diamino-5-(cyclopentylamino)thiophene-2-carboxamide
SMILESNC(=O)c1sc(NC2CCCC2)c(N)c1N
InChIInChI=1S/C10H16N4OS/c11-6-7(12)10(16-8(6)9(13)15)14-5-3-1-2-4-5/h5,14H,1-4,11-12H2,(H2,13,15)
InChIKeyJJEHOYKTUVYMFS-UHFFFAOYSA-N
XLogP1.37
TPSA107.16 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 51.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,4-diamino-5-(cyclopentylamino)thiophene-2-carboxamide?
The IUPAC name of 3,4-diamino-5-(cyclopentylamino)thiophene-2-carboxamide (CID 70956563) is 3,4-diamino-5-(cyclopentylamino)thiophene-2-carboxamide.
What is the SMILES notation for 3,4-diamino-5-(cyclopentylamino)thiophene-2-carboxamide?
The canonical SMILES for 3,4-diamino-5-(cyclopentylamino)thiophene-2-carboxamide is NC(=O)c1sc(NC2CCCC2)c(N)c1N.
What is the InChIKey of 3,4-diamino-5-(cyclopentylamino)thiophene-2-carboxamide?
The InChIKey is JJEHOYKTUVYMFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4OS/c11-6-7(12)10(16-8(6)9(13)15)14-5-3-1-2-4-5/h5,14H,1-4,11-12H2,(H2,13,15).
What are the key properties of 3,4-diamino-5-(cyclopentylamino)thiophene-2-carboxamide?
3,4-diamino-5-(cyclopentylamino)thiophene-2-carboxamide has a molecular weight of 240.33 g/mol, XLogP of 1.37, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diamino-5-(cyclopentylamino)thiophene-2-carboxamide is sourced from PubChem (CID 70956563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).