3-(3-methoxy-1,2-thiazol-5-yl)cyclopentan-1-ol

C9H13NO2S — CID 126999946

IUPAC3-(3-methoxy-1,2-thiazol-5-yl)cyclopentan-1-ol
SMILESCOc1cc(C2CCC(O)C2)sn1
InChIInChI=1S/C9H13NO2S/c1-12-9-5-8(13-10-9)6-2-3-7(11)4-6/h5-7,11H,2-4H2,1H3
InChIKeyCNCVDIHUYJSJRY-UHFFFAOYSA-N
MW199.28 g/mol
LogP1.78
Rot. Bonds2

About 3-(3-methoxy-1,2-thiazol-5-yl)cyclopentan-1-ol

3-(3-methoxy-1,2-thiazol-5-yl)cyclopentan-1-ol (PubChem CID 126999946) has the molecular formula C9H13NO2S and a molecular weight of 199.28 g/mol. Its IUPAC name is 3-(3-methoxy-1,2-thiazol-5-yl)cyclopentan-1-ol.

Molecular Properties

Compound Name3-(3-methoxy-1,2-thiazol-5-yl)cyclopentan-1-ol
PubChem CID126999946
Molecular FormulaC9H13NO2S
Molecular Weight199.28 g/mol
Exact Mass199.07
IUPAC Name3-(3-methoxy-1,2-thiazol-5-yl)cyclopentan-1-ol
SMILESCOc1cc(C2CCC(O)C2)sn1
InChIInChI=1S/C9H13NO2S/c1-12-9-5-8(13-10-9)6-2-3-7(11)4-6/h5-7,11H,2-4H2,1H3
InChIKeyCNCVDIHUYJSJRY-UHFFFAOYSA-N
XLogP1.78
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.28
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

CID 146376933
CID 146376933
CID 126999941
CID 126999941
CID 126999945
CID 126999945
CID 126999950
CID 126999950
CID 126999951
CID 126999951
CID 126999967
CID 126999967
CID 126999968
CID 126999968
CID 126999971
CID 126999971
CID 126999974
CID 126999974
CID 126999983
CID 126999983
CID 130624314
CID 130624314
CID 130632361
CID 130632361

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxy-1,2-thiazol-5-yl)cyclopentan-1-ol?
The IUPAC name of 3-(3-methoxy-1,2-thiazol-5-yl)cyclopentan-1-ol (CID 126999946) is 3-(3-methoxy-1,2-thiazol-5-yl)cyclopentan-1-ol.
What is the SMILES notation for 3-(3-methoxy-1,2-thiazol-5-yl)cyclopentan-1-ol?
The canonical SMILES for 3-(3-methoxy-1,2-thiazol-5-yl)cyclopentan-1-ol is COc1cc(C2CCC(O)C2)sn1.
What is the InChIKey of 3-(3-methoxy-1,2-thiazol-5-yl)cyclopentan-1-ol?
The InChIKey is CNCVDIHUYJSJRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2S/c1-12-9-5-8(13-10-9)6-2-3-7(11)4-6/h5-7,11H,2-4H2,1H3.
What are the key properties of 3-(3-methoxy-1,2-thiazol-5-yl)cyclopentan-1-ol?
3-(3-methoxy-1,2-thiazol-5-yl)cyclopentan-1-ol has a molecular weight of 199.28 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxy-1,2-thiazol-5-yl)cyclopentan-1-ol is sourced from PubChem (CID 126999946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).