5-(3-aminoprop-1-ynyl)-N-(1-methoxypropan-2-yl)-N,4-dimethylthiophene-2-carboxamide

C14H20N2O2S — CID 79990216

IUPAC5-(3-aminoprop-1-ynyl)-N-(1-methoxypropan-2-yl)-N,4-dimethylthiophene-2-carboxamide
SMILESCOCC(C)N(C)C(=O)c1cc(C)c(C#CCN)s1
InChIInChI=1S/C14H20N2O2S/c1-10-8-13(19-12(10)6-5-7-15)14(17)16(3)11(2)9-18-4/h8,11H,7,9,15H2,1-4H3
InChIKeySEUHHITUPDBPFR-UHFFFAOYSA-N
MW280.39 g/mol
LogP1.47
Rot. Bonds4

About 5-(3-aminoprop-1-ynyl)-N-(1-methoxypropan-2-yl)-N,4-dimethylthiophene-2-carboxamide

5-(3-aminoprop-1-ynyl)-N-(1-methoxypropan-2-yl)-N,4-dimethylthiophene-2-carboxamide (PubChem CID 79990216) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is 5-(3-aminoprop-1-ynyl)-N-(1-methoxypropan-2-yl)-N,4-dimethylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-(3-aminoprop-1-ynyl)-N-(1-methoxypropan-2-yl)-N,4-dimethylthiophene-2-carboxamide
PubChem CID79990216
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC Name5-(3-aminoprop-1-ynyl)-N-(1-methoxypropan-2-yl)-N,4-dimethylthiophene-2-carboxamide
SMILESCOCC(C)N(C)C(=O)c1cc(C)c(C#CCN)s1
InChIInChI=1S/C14H20N2O2S/c1-10-8-13(19-12(10)6-5-7-15)14(17)16(3)11(2)9-18-4/h8,11H,7,9,15H2,1-4H3
InChIKeySEUHHITUPDBPFR-UHFFFAOYSA-N
XLogP1.47
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(3-aminoprop-1-ynyl)-N-(1-methoxypropan-2-yl)-N,4-dimethylthiophene-2-carboxamide?
The IUPAC name of 5-(3-aminoprop-1-ynyl)-N-(1-methoxypropan-2-yl)-N,4-dimethylthiophene-2-carboxamide (CID 79990216) is 5-(3-aminoprop-1-ynyl)-N-(1-methoxypropan-2-yl)-N,4-dimethylthiophene-2-carboxamide.
What is the SMILES notation for 5-(3-aminoprop-1-ynyl)-N-(1-methoxypropan-2-yl)-N,4-dimethylthiophene-2-carboxamide?
The canonical SMILES for 5-(3-aminoprop-1-ynyl)-N-(1-methoxypropan-2-yl)-N,4-dimethylthiophene-2-carboxamide is COCC(C)N(C)C(=O)c1cc(C)c(C#CCN)s1.
What is the InChIKey of 5-(3-aminoprop-1-ynyl)-N-(1-methoxypropan-2-yl)-N,4-dimethylthiophene-2-carboxamide?
The InChIKey is SEUHHITUPDBPFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S/c1-10-8-13(19-12(10)6-5-7-15)14(17)16(3)11(2)9-18-4/h8,11H,7,9,15H2,1-4H3.
What are the key properties of 5-(3-aminoprop-1-ynyl)-N-(1-methoxypropan-2-yl)-N,4-dimethylthiophene-2-carboxamide?
5-(3-aminoprop-1-ynyl)-N-(1-methoxypropan-2-yl)-N,4-dimethylthiophene-2-carboxamide has a molecular weight of 280.39 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminoprop-1-ynyl)-N-(1-methoxypropan-2-yl)-N,4-dimethylthiophene-2-carboxamide is sourced from PubChem (CID 79990216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).