2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethylamino)ethanol

C9H14N2OS — CID 46784920

IUPAC2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethylamino)ethanol
SMILESOCCNCc1nc2c(s1)CCC2
InChIInChI=1S/C9H14N2OS/c12-5-4-10-6-9-11-7-2-1-3-8(7)13-9/h10,12H,1-6H2
InChIKeySJBWSZNRSWICLU-UHFFFAOYSA-N
MW198.29 g/mol
LogP0.71
Rot. Bonds4

About 2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethylamino)ethanol

2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethylamino)ethanol (PubChem CID 46784920) has the molecular formula C9H14N2OS and a molecular weight of 198.29 g/mol. Its IUPAC name is 2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethylamino)ethanol.

Molecular Properties

Compound Name2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethylamino)ethanol
PubChem CID46784920
Molecular FormulaC9H14N2OS
Molecular Weight198.29 g/mol
Exact Mass198.08
IUPAC Name2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethylamino)ethanol
SMILESOCCNCc1nc2c(s1)CCC2
InChIInChI=1S/C9H14N2OS/c12-5-4-10-6-9-11-7-2-1-3-8(7)13-9/h10,12H,1-6H2
InChIKeySJBWSZNRSWICLU-UHFFFAOYSA-N
XLogP0.71
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 50.71
H-Bond Donors ≤ 52
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 2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethylamino)ethanol?
The IUPAC name of 2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethylamino)ethanol (CID 46784920) is 2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethylamino)ethanol.
What is the SMILES notation for 2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethylamino)ethanol?
The canonical SMILES for 2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethylamino)ethanol is OCCNCc1nc2c(s1)CCC2.
What is the InChIKey of 2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethylamino)ethanol?
The InChIKey is SJBWSZNRSWICLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2OS/c12-5-4-10-6-9-11-7-2-1-3-8(7)13-9/h10,12H,1-6H2.
What are the key properties of 2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethylamino)ethanol?
2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethylamino)ethanol has a molecular weight of 198.29 g/mol, XLogP of 0.71, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethylamino)ethanol is sourced from PubChem (CID 46784920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).