1-(1-methoxycyclopentyl)-2-(1,3-thiazol-2-yl)ethanol

C11H17NO2S — CID 104610440

IUPAC1-(1-methoxycyclopentyl)-2-(1,3-thiazol-2-yl)ethanol
SMILESCOC1(C(O)Cc2nccs2)CCCC1
InChIInChI=1S/C11H17NO2S/c1-14-11(4-2-3-5-11)9(13)8-10-12-6-7-15-10/h6-7,9,13H,2-5,8H2,1H3
InChIKeySIZHGAVMYQKEPW-UHFFFAOYSA-N
MW227.33 g/mol
LogP2.01
Rot. Bonds4

About 1-(1-methoxycyclopentyl)-2-(1,3-thiazol-2-yl)ethanol

1-(1-methoxycyclopentyl)-2-(1,3-thiazol-2-yl)ethanol (PubChem CID 104610440) has the molecular formula C11H17NO2S and a molecular weight of 227.33 g/mol. Its IUPAC name is 1-(1-methoxycyclopentyl)-2-(1,3-thiazol-2-yl)ethanol.

Molecular Properties

Compound Name1-(1-methoxycyclopentyl)-2-(1,3-thiazol-2-yl)ethanol
PubChem CID104610440
Molecular FormulaC11H17NO2S
Molecular Weight227.33 g/mol
Exact Mass227.10
IUPAC Name1-(1-methoxycyclopentyl)-2-(1,3-thiazol-2-yl)ethanol
SMILESCOC1(C(O)Cc2nccs2)CCCC1
InChIInChI=1S/C11H17NO2S/c1-14-11(4-2-3-5-11)9(13)8-10-12-6-7-15-10/h6-7,9,13H,2-5,8H2,1H3
InChIKeySIZHGAVMYQKEPW-UHFFFAOYSA-N
XLogP2.01
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxycyclopentyl)-2-(1,3-thiazol-2-yl)ethanol?
The IUPAC name of 1-(1-methoxycyclopentyl)-2-(1,3-thiazol-2-yl)ethanol (CID 104610440) is 1-(1-methoxycyclopentyl)-2-(1,3-thiazol-2-yl)ethanol.
What is the SMILES notation for 1-(1-methoxycyclopentyl)-2-(1,3-thiazol-2-yl)ethanol?
The canonical SMILES for 1-(1-methoxycyclopentyl)-2-(1,3-thiazol-2-yl)ethanol is COC1(C(O)Cc2nccs2)CCCC1.
What is the InChIKey of 1-(1-methoxycyclopentyl)-2-(1,3-thiazol-2-yl)ethanol?
The InChIKey is SIZHGAVMYQKEPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2S/c1-14-11(4-2-3-5-11)9(13)8-10-12-6-7-15-10/h6-7,9,13H,2-5,8H2,1H3.
What are the key properties of 1-(1-methoxycyclopentyl)-2-(1,3-thiazol-2-yl)ethanol?
1-(1-methoxycyclopentyl)-2-(1,3-thiazol-2-yl)ethanol has a molecular weight of 227.33 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxycyclopentyl)-2-(1,3-thiazol-2-yl)ethanol is sourced from PubChem (CID 104610440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).