2-[1-(1,3-thiazol-4-yl)ethylamino]cyclopentan-1-ol

C10H16N2OS — CID 115891364

IUPAC2-[1-(1,3-thiazol-4-yl)ethylamino]cyclopentan-1-ol
SMILESCC(NC1CCCC1O)c1cscn1
InChIInChI=1S/C10H16N2OS/c1-7(9-5-14-6-11-9)12-8-3-2-4-10(8)13/h5-8,10,12-13H,2-4H2,1H3
InChIKeyMLCLGNRCOSENTH-UHFFFAOYSA-N
MW212.32 g/mol
LogP1.71
Rot. Bonds3

About 2-[1-(1,3-thiazol-4-yl)ethylamino]cyclopentan-1-ol

2-[1-(1,3-thiazol-4-yl)ethylamino]cyclopentan-1-ol (PubChem CID 115891364) has the molecular formula C10H16N2OS and a molecular weight of 212.32 g/mol. Its IUPAC name is 2-[1-(1,3-thiazol-4-yl)ethylamino]cyclopentan-1-ol.

Molecular Properties

Compound Name2-[1-(1,3-thiazol-4-yl)ethylamino]cyclopentan-1-ol
PubChem CID115891364
Molecular FormulaC10H16N2OS
Molecular Weight212.32 g/mol
Exact Mass212.10
IUPAC Name2-[1-(1,3-thiazol-4-yl)ethylamino]cyclopentan-1-ol
SMILESCC(NC1CCCC1O)c1cscn1
InChIInChI=1S/C10H16N2OS/c1-7(9-5-14-6-11-9)12-8-3-2-4-10(8)13/h5-8,10,12-13H,2-4H2,1H3
InChIKeyMLCLGNRCOSENTH-UHFFFAOYSA-N
XLogP1.71
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(1,3-thiazol-4-yl)ethylamino]cyclopentan-1-ol?
The IUPAC name of 2-[1-(1,3-thiazol-4-yl)ethylamino]cyclopentan-1-ol (CID 115891364) is 2-[1-(1,3-thiazol-4-yl)ethylamino]cyclopentan-1-ol.
What is the SMILES notation for 2-[1-(1,3-thiazol-4-yl)ethylamino]cyclopentan-1-ol?
The canonical SMILES for 2-[1-(1,3-thiazol-4-yl)ethylamino]cyclopentan-1-ol is CC(NC1CCCC1O)c1cscn1.
What is the InChIKey of 2-[1-(1,3-thiazol-4-yl)ethylamino]cyclopentan-1-ol?
The InChIKey is MLCLGNRCOSENTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2OS/c1-7(9-5-14-6-11-9)12-8-3-2-4-10(8)13/h5-8,10,12-13H,2-4H2,1H3.
What are the key properties of 2-[1-(1,3-thiazol-4-yl)ethylamino]cyclopentan-1-ol?
2-[1-(1,3-thiazol-4-yl)ethylamino]cyclopentan-1-ol has a molecular weight of 212.32 g/mol, XLogP of 1.71, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1,3-thiazol-4-yl)ethylamino]cyclopentan-1-ol is sourced from PubChem (CID 115891364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).