2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-propylheptan-2-amine

C16H28N2S — CID 80558649

IUPAC2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-propylheptan-2-amine
SMILESCCCCCC(C)(NCCC)c1nc2c(s1)CCC2
InChIInChI=1S/C16H28N2S/c1-4-6-7-11-16(3,17-12-5-2)15-18-13-9-8-10-14(13)19-15/h17H,4-12H2,1-3H3
InChIKeyIQPJYTZUZCGDDF-UHFFFAOYSA-N
MW280.48 g/mol
LogP4.43
Rot. Bonds8

About 2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-propylheptan-2-amine

2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-propylheptan-2-amine (PubChem CID 80558649) has the molecular formula C16H28N2S and a molecular weight of 280.48 g/mol. Its IUPAC name is 2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-propylheptan-2-amine.

Molecular Properties

Compound Name2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-propylheptan-2-amine
PubChem CID80558649
Molecular FormulaC16H28N2S
Molecular Weight280.48 g/mol
Exact Mass280.20
IUPAC Name2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-propylheptan-2-amine
SMILESCCCCCC(C)(NCCC)c1nc2c(s1)CCC2
InChIInChI=1S/C16H28N2S/c1-4-6-7-11-16(3,17-12-5-2)15-18-13-9-8-10-14(13)19-15/h17H,4-12H2,1-3H3
InChIKeyIQPJYTZUZCGDDF-UHFFFAOYSA-N
XLogP4.43
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.48
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-propylheptan-2-amine?
The IUPAC name of 2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-propylheptan-2-amine (CID 80558649) is 2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-propylheptan-2-amine.
What is the SMILES notation for 2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-propylheptan-2-amine?
The canonical SMILES for 2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-propylheptan-2-amine is CCCCCC(C)(NCCC)c1nc2c(s1)CCC2.
What is the InChIKey of 2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-propylheptan-2-amine?
The InChIKey is IQPJYTZUZCGDDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2S/c1-4-6-7-11-16(3,17-12-5-2)15-18-13-9-8-10-14(13)19-15/h17H,4-12H2,1-3H3.
What are the key properties of 2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-propylheptan-2-amine?
2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-propylheptan-2-amine has a molecular weight of 280.48 g/mol, XLogP of 4.43, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-propylheptan-2-amine is sourced from PubChem (CID 80558649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).