3-amino-5-(1-cyclopropylethylamino)-2-N-prop-2-enylthiophene-2,4-dicarboxamide

C14H20N4O2S — CID 103427603

IUPAC3-amino-5-(1-cyclopropylethylamino)-2-N-prop-2-enylthiophene-2,4-dicarboxamide
SMILESC=CCNC(=O)c1sc(NC(C)C2CC2)c(C(N)=O)c1N
InChIInChI=1S/C14H20N4O2S/c1-3-6-17-13(20)11-10(15)9(12(16)19)14(21-11)18-7(2)8-4-5-8/h3,7-8,18H,1,4-6,15H2,2H3,(H2,16,19)(H,17,20)
InChIKeyDCPDQKOJNZMAFN-UHFFFAOYSA-N
MW308.41 g/mol
LogP1.56
Rot. Bonds7

About 3-amino-5-(1-cyclopropylethylamino)-2-N-prop-2-enylthiophene-2,4-dicarboxamide

3-amino-5-(1-cyclopropylethylamino)-2-N-prop-2-enylthiophene-2,4-dicarboxamide (PubChem CID 103427603) has the molecular formula C14H20N4O2S and a molecular weight of 308.41 g/mol. Its IUPAC name is 3-amino-5-(1-cyclopropylethylamino)-2-N-prop-2-enylthiophene-2,4-dicarboxamide.

Molecular Properties

Compound Name3-amino-5-(1-cyclopropylethylamino)-2-N-prop-2-enylthiophene-2,4-dicarboxamide
PubChem CID103427603
Molecular FormulaC14H20N4O2S
Molecular Weight308.41 g/mol
Exact Mass308.13
IUPAC Name3-amino-5-(1-cyclopropylethylamino)-2-N-prop-2-enylthiophene-2,4-dicarboxamide
SMILESC=CCNC(=O)c1sc(NC(C)C2CC2)c(C(N)=O)c1N
InChIInChI=1S/C14H20N4O2S/c1-3-6-17-13(20)11-10(15)9(12(16)19)14(21-11)18-7(2)8-4-5-8/h3,7-8,18H,1,4-6,15H2,2H3,(H2,16,19)(H,17,20)
InChIKeyDCPDQKOJNZMAFN-UHFFFAOYSA-N
XLogP1.56
TPSA110.24 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 51.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-amino-5-(butan-2-ylamino)-2-N-prop-2-enylthiophene-2,4-dicarboxamide
CID 103423539
methyl 3-amino-4-carbamoyl-5-(1-cyclopropylethylamino)thiophene-2-carboxylate
CID 103427604
3-amino-4-N-methyl-5-(propan-2-ylamino)-2-N-prop-2-enylthiophene-2,4-dicarboxamide
CID 103423232
3-amino-4-cyclopropyl-5-(propan-2-ylamino)-N-prop-2-enylthiophene-2-carboxamide
CID 103423277
3-amino-5-(butan-2-ylamino)-4-N-methyl-2-N-prop-2-enylthiophene-2,4-dicarboxamide
CID 103423511
3-amino-5-(cyclopropylamino)-4-propan-2-yloxy-N-prop-2-enylthiophene-2-carboxamide
CID 103423732
3-amino-5-(cyclopropylmethylamino)-4-propan-2-yloxy-N-prop-2-enylthiophene-2-carboxamide
CID 103424670
methyl 4-amino-2-(cyclopropylmethylamino)-5-(prop-2-enylcarbamoyl)thiophene-3-carboxylate
CID 103424651
dimethyl 3-amino-5-(1-cyclopropylethylamino)thiophene-2,4-dicarboxylate
CID 103427567
methyl 5-acetyl-4-amino-2-(1-cyclopropylethylamino)thiophene-3-carboxylate
CID 103427566
methyl 3-amino-4-carbamoyl-5-(dicyclopropylmethylamino)thiophene-2-carboxylate
CID 103508521
3-amino-5-(cyclopropylmethylamino)-4-methoxy-N-prop-2-enylthiophene-2-carboxamide
CID 103424588

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(1-cyclopropylethylamino)-2-N-prop-2-enylthiophene-2,4-dicarboxamide?
The IUPAC name of 3-amino-5-(1-cyclopropylethylamino)-2-N-prop-2-enylthiophene-2,4-dicarboxamide (CID 103427603) is 3-amino-5-(1-cyclopropylethylamino)-2-N-prop-2-enylthiophene-2,4-dicarboxamide.
What is the SMILES notation for 3-amino-5-(1-cyclopropylethylamino)-2-N-prop-2-enylthiophene-2,4-dicarboxamide?
The canonical SMILES for 3-amino-5-(1-cyclopropylethylamino)-2-N-prop-2-enylthiophene-2,4-dicarboxamide is C=CCNC(=O)c1sc(NC(C)C2CC2)c(C(N)=O)c1N.
What is the InChIKey of 3-amino-5-(1-cyclopropylethylamino)-2-N-prop-2-enylthiophene-2,4-dicarboxamide?
The InChIKey is DCPDQKOJNZMAFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2S/c1-3-6-17-13(20)11-10(15)9(12(16)19)14(21-11)18-7(2)8-4-5-8/h3,7-8,18H,1,4-6,15H2,2H3,(H2,16,19)(H,17,20).
What are the key properties of 3-amino-5-(1-cyclopropylethylamino)-2-N-prop-2-enylthiophene-2,4-dicarboxamide?
3-amino-5-(1-cyclopropylethylamino)-2-N-prop-2-enylthiophene-2,4-dicarboxamide has a molecular weight of 308.41 g/mol, XLogP of 1.56, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(1-cyclopropylethylamino)-2-N-prop-2-enylthiophene-2,4-dicarboxamide is sourced from PubChem (CID 103427603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).