3-amino-5-(cyclopentylamino)-2-N-propylthiophene-2,4-dicarboxamide

C14H22N4O2S — CID 103423956

IUPAC3-amino-5-(cyclopentylamino)-2-N-propylthiophene-2,4-dicarboxamide
SMILESCCCNC(=O)c1sc(NC2CCCC2)c(C(N)=O)c1N
InChIInChI=1S/C14H22N4O2S/c1-2-7-17-13(20)11-10(15)9(12(16)19)14(21-11)18-8-5-3-4-6-8/h8,18H,2-7,15H2,1H3,(H2,16,19)(H,17,20)
InChIKeyRRYRNHSOORWQFX-UHFFFAOYSA-N
MW310.42 g/mol
LogP1.92
Rot. Bonds6

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

3-amino-5-(cyclopentylamino)-2-N-propylthiophene-2,4-dicarboxamide (PubChem CID 103423956) has the molecular formula C14H22N4O2S and a molecular weight of 310.42 g/mol. Its IUPAC name is 3-amino-5-(cyclopentylamino)-2-N-propylthiophene-2,4-dicarboxamide.

Molecular Properties

Compound Name3-amino-5-(cyclopentylamino)-2-N-propylthiophene-2,4-dicarboxamide
PubChem CID103423956
Molecular FormulaC14H22N4O2S
Molecular Weight310.42 g/mol
Exact Mass310.15
IUPAC Name3-amino-5-(cyclopentylamino)-2-N-propylthiophene-2,4-dicarboxamide
SMILESCCCNC(=O)c1sc(NC2CCCC2)c(C(N)=O)c1N
InChIInChI=1S/C14H22N4O2S/c1-2-7-17-13(20)11-10(15)9(12(16)19)14(21-11)18-8-5-3-4-6-8/h8,18H,2-7,15H2,1H3,(H2,16,19)(H,17,20)
InChIKeyRRYRNHSOORWQFX-UHFFFAOYSA-N
XLogP1.92
TPSA110.24 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(cyclopentylamino)-2-N-propylthiophene-2,4-dicarboxamide?
The IUPAC name of 3-amino-5-(cyclopentylamino)-2-N-propylthiophene-2,4-dicarboxamide (CID 103423956) is 3-amino-5-(cyclopentylamino)-2-N-propylthiophene-2,4-dicarboxamide.
What is the SMILES notation for 3-amino-5-(cyclopentylamino)-2-N-propylthiophene-2,4-dicarboxamide?
The canonical SMILES for 3-amino-5-(cyclopentylamino)-2-N-propylthiophene-2,4-dicarboxamide is CCCNC(=O)c1sc(NC2CCCC2)c(C(N)=O)c1N.
What is the InChIKey of 3-amino-5-(cyclopentylamino)-2-N-propylthiophene-2,4-dicarboxamide?
The InChIKey is RRYRNHSOORWQFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2S/c1-2-7-17-13(20)11-10(15)9(12(16)19)14(21-11)18-8-5-3-4-6-8/h8,18H,2-7,15H2,1H3,(H2,16,19)(H,17,20).
What are the key properties of 3-amino-5-(cyclopentylamino)-2-N-propylthiophene-2,4-dicarboxamide?
3-amino-5-(cyclopentylamino)-2-N-propylthiophene-2,4-dicarboxamide has a molecular weight of 310.42 g/mol, XLogP of 1.92, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(cyclopentylamino)-2-N-propylthiophene-2,4-dicarboxamide is sourced from PubChem (CID 103423956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).