2-(1-methoxycyclopentyl)-1,3-thiazol-4-ol

C9H13NO2S — CID 130501532

IUPAC2-(1-methoxycyclopentyl)-1,3-thiazol-4-ol
SMILESCOC1(c2nc(O)cs2)CCCC1
InChIInChI=1S/C9H13NO2S/c1-12-9(4-2-3-5-9)8-10-7(11)6-13-8/h6,11H,2-5H2,1H3
InChIKeyJQCVKPGBGOYKKF-UHFFFAOYSA-N
MW199.27 g/mol
LogP2.26
Rot. Bonds2

About 2-(1-methoxycyclopentyl)-1,3-thiazol-4-ol

2-(1-methoxycyclopentyl)-1,3-thiazol-4-ol (PubChem CID 130501532) has the molecular formula C9H13NO2S and a molecular weight of 199.27 g/mol. Its IUPAC name is 2-(1-methoxycyclopentyl)-1,3-thiazol-4-ol.

Molecular Properties

Compound Name2-(1-methoxycyclopentyl)-1,3-thiazol-4-ol
PubChem CID130501532
Molecular FormulaC9H13NO2S
Molecular Weight199.27 g/mol
Exact Mass199.07
IUPAC Name2-(1-methoxycyclopentyl)-1,3-thiazol-4-ol
SMILESCOC1(c2nc(O)cs2)CCCC1
InChIInChI=1S/C9H13NO2S/c1-12-9(4-2-3-5-9)8-10-7(11)6-13-8/h6,11H,2-5H2,1H3
InChIKeyJQCVKPGBGOYKKF-UHFFFAOYSA-N
XLogP2.26
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.27
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxycyclopentyl)-1,3-thiazol-4-ol?
The IUPAC name of 2-(1-methoxycyclopentyl)-1,3-thiazol-4-ol (CID 130501532) is 2-(1-methoxycyclopentyl)-1,3-thiazol-4-ol.
What is the SMILES notation for 2-(1-methoxycyclopentyl)-1,3-thiazol-4-ol?
The canonical SMILES for 2-(1-methoxycyclopentyl)-1,3-thiazol-4-ol is COC1(c2nc(O)cs2)CCCC1.
What is the InChIKey of 2-(1-methoxycyclopentyl)-1,3-thiazol-4-ol?
The InChIKey is JQCVKPGBGOYKKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2S/c1-12-9(4-2-3-5-9)8-10-7(11)6-13-8/h6,11H,2-5H2,1H3.
What are the key properties of 2-(1-methoxycyclopentyl)-1,3-thiazol-4-ol?
2-(1-methoxycyclopentyl)-1,3-thiazol-4-ol has a molecular weight of 199.27 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxycyclopentyl)-1,3-thiazol-4-ol is sourced from PubChem (CID 130501532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).