3-methyl-3-(1,2-thiazol-3-yl)cyclopentan-1-ol

C9H13NOS — CID 130839461

IUPAC3-methyl-3-(1,2-thiazol-3-yl)cyclopentan-1-ol
SMILESCC1(c2ccsn2)CCC(O)C1
InChIInChI=1S/C9H13NOS/c1-9(4-2-7(11)6-9)8-3-5-12-10-8/h3,5,7,11H,2,4,6H2,1H3
InChIKeyMWZVYUFBIUOQLR-UHFFFAOYSA-N
MW183.28 g/mol
LogP1.95
Rot. Bonds1

About 3-methyl-3-(1,2-thiazol-3-yl)cyclopentan-1-ol

3-methyl-3-(1,2-thiazol-3-yl)cyclopentan-1-ol (PubChem CID 130839461) has the molecular formula C9H13NOS and a molecular weight of 183.28 g/mol. Its IUPAC name is 3-methyl-3-(1,2-thiazol-3-yl)cyclopentan-1-ol.

Molecular Properties

Compound Name3-methyl-3-(1,2-thiazol-3-yl)cyclopentan-1-ol
PubChem CID130839461
Molecular FormulaC9H13NOS
Molecular Weight183.28 g/mol
Exact Mass183.07
IUPAC Name3-methyl-3-(1,2-thiazol-3-yl)cyclopentan-1-ol
SMILESCC1(c2ccsn2)CCC(O)C1
InChIInChI=1S/C9H13NOS/c1-9(4-2-7(11)6-9)8-3-5-12-10-8/h3,5,7,11H,2,4,6H2,1H3
InChIKeyMWZVYUFBIUOQLR-UHFFFAOYSA-N
XLogP1.95
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.28
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-(1,2-thiazol-3-yl)cyclopentan-1-ol?
The IUPAC name of 3-methyl-3-(1,2-thiazol-3-yl)cyclopentan-1-ol (CID 130839461) is 3-methyl-3-(1,2-thiazol-3-yl)cyclopentan-1-ol.
What is the SMILES notation for 3-methyl-3-(1,2-thiazol-3-yl)cyclopentan-1-ol?
The canonical SMILES for 3-methyl-3-(1,2-thiazol-3-yl)cyclopentan-1-ol is CC1(c2ccsn2)CCC(O)C1.
What is the InChIKey of 3-methyl-3-(1,2-thiazol-3-yl)cyclopentan-1-ol?
The InChIKey is MWZVYUFBIUOQLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NOS/c1-9(4-2-7(11)6-9)8-3-5-12-10-8/h3,5,7,11H,2,4,6H2,1H3.
What are the key properties of 3-methyl-3-(1,2-thiazol-3-yl)cyclopentan-1-ol?
3-methyl-3-(1,2-thiazol-3-yl)cyclopentan-1-ol has a molecular weight of 183.28 g/mol, XLogP of 1.95, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-(1,2-thiazol-3-yl)cyclopentan-1-ol is sourced from PubChem (CID 130839461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).