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

C13H22N2S2 — CID 116504467

IUPAC1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-ethyl-3-ethylsulfanylpropan-1-amine
SMILESCCNC(CCSCC)c1nc2c(s1)CCC2
InChIInChI=1S/C13H22N2S2/c1-3-14-11(8-9-16-4-2)13-15-10-6-5-7-12(10)17-13/h11,14H,3-9H2,1-2H3
InChIKeyAXFYYUOOURKGCW-UHFFFAOYSA-N
MW270.47 g/mol
LogP3.43
Rot. Bonds7

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

1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-ethyl-3-ethylsulfanylpropan-1-amine (PubChem CID 116504467) has the molecular formula C13H22N2S2 and a molecular weight of 270.47 g/mol. Its IUPAC name is 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-ethyl-3-ethylsulfanylpropan-1-amine.

Molecular Properties

Compound Name1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-ethyl-3-ethylsulfanylpropan-1-amine
PubChem CID116504467
Molecular FormulaC13H22N2S2
Molecular Weight270.47 g/mol
Exact Mass270.12
IUPAC Name1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-ethyl-3-ethylsulfanylpropan-1-amine
SMILESCCNC(CCSCC)c1nc2c(s1)CCC2
InChIInChI=1S/C13H22N2S2/c1-3-14-11(8-9-16-4-2)13-15-10-6-5-7-12(10)17-13/h11,14H,3-9H2,1-2H3
InChIKeyAXFYYUOOURKGCW-UHFFFAOYSA-N
XLogP3.43
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.47
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-ethyl-3-ethylsulfanylpropan-1-amine?
The IUPAC name of 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-ethyl-3-ethylsulfanylpropan-1-amine (CID 116504467) is 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-ethyl-3-ethylsulfanylpropan-1-amine.
What is the SMILES notation for 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-ethyl-3-ethylsulfanylpropan-1-amine?
The canonical SMILES for 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-ethyl-3-ethylsulfanylpropan-1-amine is CCNC(CCSCC)c1nc2c(s1)CCC2.
What is the InChIKey of 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-ethyl-3-ethylsulfanylpropan-1-amine?
The InChIKey is AXFYYUOOURKGCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2S2/c1-3-14-11(8-9-16-4-2)13-15-10-6-5-7-12(10)17-13/h11,14H,3-9H2,1-2H3.
What are the key properties of 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-ethyl-3-ethylsulfanylpropan-1-amine?
1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-ethyl-3-ethylsulfanylpropan-1-amine has a molecular weight of 270.47 g/mol, XLogP of 3.43, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-ethyl-3-ethylsulfanylpropan-1-amine is sourced from PubChem (CID 116504467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).