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

C9H11NOS — CID 170741045

IUPAC2-methyl-2-(1,3-thiazol-5-yl)cyclopentan-1-one
SMILESCC1(c2cncs2)CCCC1=O
InChIInChI=1S/C9H11NOS/c1-9(4-2-3-7(9)11)8-5-10-6-12-8/h5-6H,2-4H2,1H3
InChIKeyFCIMZJXBAGQTKN-UHFFFAOYSA-N
MW181.26 g/mol
LogP2.15
Rot. Bonds1

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

2-methyl-2-(1,3-thiazol-5-yl)cyclopentan-1-one (PubChem CID 170741045) has the molecular formula C9H11NOS and a molecular weight of 181.26 g/mol. Its IUPAC name is 2-methyl-2-(1,3-thiazol-5-yl)cyclopentan-1-one.

Molecular Properties

Compound Name2-methyl-2-(1,3-thiazol-5-yl)cyclopentan-1-one
PubChem CID170741045
Molecular FormulaC9H11NOS
Molecular Weight181.26 g/mol
Exact Mass181.06
IUPAC Name2-methyl-2-(1,3-thiazol-5-yl)cyclopentan-1-one
SMILESCC1(c2cncs2)CCCC1=O
InChIInChI=1S/C9H11NOS/c1-9(4-2-3-7(9)11)8-5-10-6-12-8/h5-6H,2-4H2,1H3
InChIKeyFCIMZJXBAGQTKN-UHFFFAOYSA-N
XLogP2.15
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.26
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(1,3-thiazol-5-yl)cyclopentan-1-one?
The IUPAC name of 2-methyl-2-(1,3-thiazol-5-yl)cyclopentan-1-one (CID 170741045) is 2-methyl-2-(1,3-thiazol-5-yl)cyclopentan-1-one.
What is the SMILES notation for 2-methyl-2-(1,3-thiazol-5-yl)cyclopentan-1-one?
The canonical SMILES for 2-methyl-2-(1,3-thiazol-5-yl)cyclopentan-1-one is CC1(c2cncs2)CCCC1=O.
What is the InChIKey of 2-methyl-2-(1,3-thiazol-5-yl)cyclopentan-1-one?
The InChIKey is FCIMZJXBAGQTKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NOS/c1-9(4-2-3-7(9)11)8-5-10-6-12-8/h5-6H,2-4H2,1H3.
What are the key properties of 2-methyl-2-(1,3-thiazol-5-yl)cyclopentan-1-one?
2-methyl-2-(1,3-thiazol-5-yl)cyclopentan-1-one has a molecular weight of 181.26 g/mol, XLogP of 2.15, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(1,3-thiazol-5-yl)cyclopentan-1-one is sourced from PubChem (CID 170741045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).