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

C9H11NO2S — CID 126999983

IUPAC3-(3-methoxy-1,2-thiazol-5-yl)cyclopentan-1-one
SMILESCOc1cc(C2CCC(=O)C2)sn1
InChIInChI=1S/C9H11NO2S/c1-12-9-5-8(13-10-9)6-2-3-7(11)4-6/h5-6H,2-4H2,1H3
InChIKeyGMXWTAMLLMAXDH-UHFFFAOYSA-N
MW197.26 g/mol
LogP1.99
Rot. Bonds2

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

3-(3-methoxy-1,2-thiazol-5-yl)cyclopentan-1-one (PubChem CID 126999983) has the molecular formula C9H11NO2S and a molecular weight of 197.26 g/mol. Its IUPAC name is 3-(3-methoxy-1,2-thiazol-5-yl)cyclopentan-1-one.

Molecular Properties

Compound Name3-(3-methoxy-1,2-thiazol-5-yl)cyclopentan-1-one
PubChem CID126999983
Molecular FormulaC9H11NO2S
Molecular Weight197.26 g/mol
Exact Mass197.05
IUPAC Name3-(3-methoxy-1,2-thiazol-5-yl)cyclopentan-1-one
SMILESCOc1cc(C2CCC(=O)C2)sn1
InChIInChI=1S/C9H11NO2S/c1-12-9-5-8(13-10-9)6-2-3-7(11)4-6/h5-6H,2-4H2,1H3
InChIKeyGMXWTAMLLMAXDH-UHFFFAOYSA-N
XLogP1.99
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.26
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxy-1,2-thiazol-5-yl)cyclopentan-1-one?
The IUPAC name of 3-(3-methoxy-1,2-thiazol-5-yl)cyclopentan-1-one (CID 126999983) is 3-(3-methoxy-1,2-thiazol-5-yl)cyclopentan-1-one.
What is the SMILES notation for 3-(3-methoxy-1,2-thiazol-5-yl)cyclopentan-1-one?
The canonical SMILES for 3-(3-methoxy-1,2-thiazol-5-yl)cyclopentan-1-one is COc1cc(C2CCC(=O)C2)sn1.
What is the InChIKey of 3-(3-methoxy-1,2-thiazol-5-yl)cyclopentan-1-one?
The InChIKey is GMXWTAMLLMAXDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2S/c1-12-9-5-8(13-10-9)6-2-3-7(11)4-6/h5-6H,2-4H2,1H3.
What are the key properties of 3-(3-methoxy-1,2-thiazol-5-yl)cyclopentan-1-one?
3-(3-methoxy-1,2-thiazol-5-yl)cyclopentan-1-one has a molecular weight of 197.26 g/mol, XLogP of 1.99, 2 rotatable bonds, 0 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-one is sourced from PubChem (CID 126999983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).