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

C9H11NO2S — CID 130593201

IUPAC2-(2-methoxy-1,3-thiazol-5-yl)cyclopentan-1-one
SMILESCOc1ncc(C2CCCC2=O)s1
InChIInChI=1S/C9H11NO2S/c1-12-9-10-5-8(13-9)6-3-2-4-7(6)11/h5-6H,2-4H2,1H3
InChIKeyRNHPIGXQQYBPQM-UHFFFAOYSA-N
MW197.26 g/mol
LogP1.99
Rot. Bonds2

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

2-(2-methoxy-1,3-thiazol-5-yl)cyclopentan-1-one (PubChem CID 130593201) has the molecular formula C9H11NO2S and a molecular weight of 197.26 g/mol. Its IUPAC name is 2-(2-methoxy-1,3-thiazol-5-yl)cyclopentan-1-one.

Molecular Properties

Compound Name2-(2-methoxy-1,3-thiazol-5-yl)cyclopentan-1-one
PubChem CID130593201
Molecular FormulaC9H11NO2S
Molecular Weight197.26 g/mol
Exact Mass197.05
IUPAC Name2-(2-methoxy-1,3-thiazol-5-yl)cyclopentan-1-one
SMILESCOc1ncc(C2CCCC2=O)s1
InChIInChI=1S/C9H11NO2S/c1-12-9-10-5-8(13-9)6-3-2-4-7(6)11/h5-6H,2-4H2,1H3
InChIKeyRNHPIGXQQYBPQM-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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Related Compounds

2-(2-methoxy-1,3-thiazol-5-yl)cyclopentan-1-ol
CID 130593198
methyl 6-[(1S)-2-oxocyclopentyl]pyridine-3-carboxylate
CID 97036868
2-methoxy-5-methyl-1,3-thiazole
CID 12743061
5-(2-azaspiro[3.3]heptan-3-yl)-2-methoxy-1,3-thiazole
CID 130590599
4-hydroxy-2-(2-methyl-1,3-thiazol-5-yl)cyclohexan-1-one
CID 69483693
2-(3,5-dichloro-4-pyridinyl)cyclopentan-1-one
CID 130040730
2-(6-fluoro-3-pyridinyl)cyclohexan-1-one
CID 130040579
2-(2-methoxyphenyl)cycloheptan-1-one
CID 44718991
2-(5-fluoro-2-methoxyphenyl)cycloheptan-1-one
CID 82781917
2-(2-fluoro-4-methoxyphenyl)cycloheptan-1-one
CID 103396633
2-methoxy-1,3-thiazol-5-ol
CID 130658802
2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-one
CID 63344313

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-1,3-thiazol-5-yl)cyclopentan-1-one?
The IUPAC name of 2-(2-methoxy-1,3-thiazol-5-yl)cyclopentan-1-one (CID 130593201) is 2-(2-methoxy-1,3-thiazol-5-yl)cyclopentan-1-one.
What is the SMILES notation for 2-(2-methoxy-1,3-thiazol-5-yl)cyclopentan-1-one?
The canonical SMILES for 2-(2-methoxy-1,3-thiazol-5-yl)cyclopentan-1-one is COc1ncc(C2CCCC2=O)s1.
What is the InChIKey of 2-(2-methoxy-1,3-thiazol-5-yl)cyclopentan-1-one?
The InChIKey is RNHPIGXQQYBPQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2S/c1-12-9-10-5-8(13-9)6-3-2-4-7(6)11/h5-6H,2-4H2,1H3.
What are the key properties of 2-(2-methoxy-1,3-thiazol-5-yl)cyclopentan-1-one?
2-(2-methoxy-1,3-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 2-(2-methoxy-1,3-thiazol-5-yl)cyclopentan-1-one is sourced from PubChem (CID 130593201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).