3-amino-5-(cyclobutylamino)-2-N-cyclopropyl-4-N-methylthiophene-2,4-dicarboxamide

C14H20N4O2S — CID 103525933

IUPAC3-amino-5-(cyclobutylamino)-2-N-cyclopropyl-4-N-methylthiophene-2,4-dicarboxamide
SMILESCNC(=O)c1c(NC2CCC2)sc(C(=O)NC2CC2)c1N
InChIInChI=1S/C14H20N4O2S/c1-16-12(19)9-10(15)11(13(20)17-8-5-6-8)21-14(9)18-7-3-2-4-7/h7-8,18H,2-6,15H2,1H3,(H,16,19)(H,17,20)
InChIKeyIQXLRZRTGMOMEC-UHFFFAOYSA-N
MW308.41 g/mol
LogP1.55
Rot. Bonds5

About 3-amino-5-(cyclobutylamino)-2-N-cyclopropyl-4-N-methylthiophene-2,4-dicarboxamide

3-amino-5-(cyclobutylamino)-2-N-cyclopropyl-4-N-methylthiophene-2,4-dicarboxamide (PubChem CID 103525933) has the molecular formula C14H20N4O2S and a molecular weight of 308.41 g/mol. Its IUPAC name is 3-amino-5-(cyclobutylamino)-2-N-cyclopropyl-4-N-methylthiophene-2,4-dicarboxamide.

Molecular Properties

Compound Name3-amino-5-(cyclobutylamino)-2-N-cyclopropyl-4-N-methylthiophene-2,4-dicarboxamide
PubChem CID103525933
Molecular FormulaC14H20N4O2S
Molecular Weight308.41 g/mol
Exact Mass308.13
IUPAC Name3-amino-5-(cyclobutylamino)-2-N-cyclopropyl-4-N-methylthiophene-2,4-dicarboxamide
SMILESCNC(=O)c1c(NC2CCC2)sc(C(=O)NC2CC2)c1N
InChIInChI=1S/C14H20N4O2S/c1-16-12(19)9-10(15)11(13(20)17-8-5-6-8)21-14(9)18-7-3-2-4-7/h7-8,18H,2-6,15H2,1H3,(H,16,19)(H,17,20)
InChIKeyIQXLRZRTGMOMEC-UHFFFAOYSA-N
XLogP1.55
TPSA96.25 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 51.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(cyclobutylamino)-2-N-cyclopropyl-4-N-methylthiophene-2,4-dicarboxamide?
The IUPAC name of 3-amino-5-(cyclobutylamino)-2-N-cyclopropyl-4-N-methylthiophene-2,4-dicarboxamide (CID 103525933) is 3-amino-5-(cyclobutylamino)-2-N-cyclopropyl-4-N-methylthiophene-2,4-dicarboxamide.
What is the SMILES notation for 3-amino-5-(cyclobutylamino)-2-N-cyclopropyl-4-N-methylthiophene-2,4-dicarboxamide?
The canonical SMILES for 3-amino-5-(cyclobutylamino)-2-N-cyclopropyl-4-N-methylthiophene-2,4-dicarboxamide is CNC(=O)c1c(NC2CCC2)sc(C(=O)NC2CC2)c1N.
What is the InChIKey of 3-amino-5-(cyclobutylamino)-2-N-cyclopropyl-4-N-methylthiophene-2,4-dicarboxamide?
The InChIKey is IQXLRZRTGMOMEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2S/c1-16-12(19)9-10(15)11(13(20)17-8-5-6-8)21-14(9)18-7-3-2-4-7/h7-8,18H,2-6,15H2,1H3,(H,16,19)(H,17,20).
What are the key properties of 3-amino-5-(cyclobutylamino)-2-N-cyclopropyl-4-N-methylthiophene-2,4-dicarboxamide?
3-amino-5-(cyclobutylamino)-2-N-cyclopropyl-4-N-methylthiophene-2,4-dicarboxamide has a molecular weight of 308.41 g/mol, XLogP of 1.55, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(cyclobutylamino)-2-N-cyclopropyl-4-N-methylthiophene-2,4-dicarboxamide is sourced from PubChem (CID 103525933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).