1-[[1-(1,3-thiazol-5-yl)ethylamino]methyl]cyclopentan-1-ol

C11H18N2OS — CID 115719652

IUPAC1-[[1-(1,3-thiazol-5-yl)ethylamino]methyl]cyclopentan-1-ol
SMILESCC(NCC1(O)CCCC1)c1cncs1
InChIInChI=1S/C11H18N2OS/c1-9(10-6-12-8-15-10)13-7-11(14)4-2-3-5-11/h6,8-9,13-14H,2-5,7H2,1H3
InChIKeyOOKCACXOAFMLGL-UHFFFAOYSA-N
MW226.34 g/mol
LogP2.10
Rot. Bonds4

About 1-[[1-(1,3-thiazol-5-yl)ethylamino]methyl]cyclopentan-1-ol

1-[[1-(1,3-thiazol-5-yl)ethylamino]methyl]cyclopentan-1-ol (PubChem CID 115719652) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is 1-[[1-(1,3-thiazol-5-yl)ethylamino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[[1-(1,3-thiazol-5-yl)ethylamino]methyl]cyclopentan-1-ol
PubChem CID115719652
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC Name1-[[1-(1,3-thiazol-5-yl)ethylamino]methyl]cyclopentan-1-ol
SMILESCC(NCC1(O)CCCC1)c1cncs1
InChIInChI=1S/C11H18N2OS/c1-9(10-6-12-8-15-10)13-7-11(14)4-2-3-5-11/h6,8-9,13-14H,2-5,7H2,1H3
InChIKeyOOKCACXOAFMLGL-UHFFFAOYSA-N
XLogP2.10
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-(1,3-thiazol-5-yl)ethylamino]methyl]cyclopentan-1-ol?
The IUPAC name of 1-[[1-(1,3-thiazol-5-yl)ethylamino]methyl]cyclopentan-1-ol (CID 115719652) is 1-[[1-(1,3-thiazol-5-yl)ethylamino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[[1-(1,3-thiazol-5-yl)ethylamino]methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[[1-(1,3-thiazol-5-yl)ethylamino]methyl]cyclopentan-1-ol is CC(NCC1(O)CCCC1)c1cncs1.
What is the InChIKey of 1-[[1-(1,3-thiazol-5-yl)ethylamino]methyl]cyclopentan-1-ol?
The InChIKey is OOKCACXOAFMLGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS/c1-9(10-6-12-8-15-10)13-7-11(14)4-2-3-5-11/h6,8-9,13-14H,2-5,7H2,1H3.
What are the key properties of 1-[[1-(1,3-thiazol-5-yl)ethylamino]methyl]cyclopentan-1-ol?
1-[[1-(1,3-thiazol-5-yl)ethylamino]methyl]cyclopentan-1-ol has a molecular weight of 226.34 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(1,3-thiazol-5-yl)ethylamino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 115719652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).