1-(2-methyl-1,3-thiazol-4-yl)-3-oxocyclopentane-1-carboxylic acid

C10H11NO3S — CID 58654160

IUPAC1-(2-methyl-1,3-thiazol-4-yl)-3-oxocyclopentane-1-carboxylic acid
SMILESCc1nc(C2(C(=O)O)CCC(=O)C2)cs1
InChIInChI=1S/C10H11NO3S/c1-6-11-8(5-15-6)10(9(13)14)3-2-7(12)4-10/h5H,2-4H2,1H3,(H,13,14)
InChIKeyXFYKRBGNZVRLGO-UHFFFAOYSA-N
MW225.27 g/mol
LogP1.53
Rot. Bonds2

About 1-(2-methyl-1,3-thiazol-4-yl)-3-oxocyclopentane-1-carboxylic acid

1-(2-methyl-1,3-thiazol-4-yl)-3-oxocyclopentane-1-carboxylic acid (PubChem CID 58654160) has the molecular formula C10H11NO3S and a molecular weight of 225.27 g/mol. Its IUPAC name is 1-(2-methyl-1,3-thiazol-4-yl)-3-oxocyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-(2-methyl-1,3-thiazol-4-yl)-3-oxocyclopentane-1-carboxylic acid
PubChem CID58654160
Molecular FormulaC10H11NO3S
Molecular Weight225.27 g/mol
Exact Mass225.05
IUPAC Name1-(2-methyl-1,3-thiazol-4-yl)-3-oxocyclopentane-1-carboxylic acid
SMILESCc1nc(C2(C(=O)O)CCC(=O)C2)cs1
InChIInChI=1S/C10H11NO3S/c1-6-11-8(5-15-6)10(9(13)14)3-2-7(12)4-10/h5H,2-4H2,1H3,(H,13,14)
InChIKeyXFYKRBGNZVRLGO-UHFFFAOYSA-N
XLogP1.53
TPSA67.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 1-(2-methyl-1,3-thiazol-4-yl)-3-oxocyclopentane-1-carboxylate
CID 58654220
1-[2-[[Hydroxy(methyl)boranyl]amino]-1,3-thiazol-4-yl]-3-oxocyclopentane-1-carboxylic acid
CID 59735046
1-(2-Methyl-1,3-thiazol-4-yl)cyclopentane-1-carboxylic acid
CID 68167466
1-[2-(Propan-2-yl)-1,3-thiazol-4-yl]cyclopentane-1-carboxylic acid
CID 69470600
Methyl 1-(2-propan-2-yl-1,3-thiazol-4-yl)cyclopentane-1-carboxylate
CID 69472146
Methyl 1-(2-methyl-1,3-thiazol-4-yl)cyclopentane-1-carboxylate
CID 71101413
2-(2-Methyl-1,3-thiazol-4-yl)hexanoic acid
CID 71101414
1-(2-Methyl-1,3-thiazol-4-yl)cyclohexane-1-carboxylic acid
CID 96603898
1-[(2-Methyl-1,3-thiazol-4-yl)methyl]cyclopentane-1-carboxylic acid
CID 65862681
1-(2-Methyl-1,3-thiazol-4-yl)cyclobutane-1-carboxylic acid
CID 82607026
1-(4-Ethyl-1,3-thiazol-2-yl)cyclopentane-1-carboxylic acid
CID 83709298
1-[2-(Propan-2-yl)-1,3-thiazol-4-yl]cyclobutane-1-carboxylic acid
CID 96603893

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-1,3-thiazol-4-yl)-3-oxocyclopentane-1-carboxylic acid?
The IUPAC name of 1-(2-methyl-1,3-thiazol-4-yl)-3-oxocyclopentane-1-carboxylic acid (CID 58654160) is 1-(2-methyl-1,3-thiazol-4-yl)-3-oxocyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-(2-methyl-1,3-thiazol-4-yl)-3-oxocyclopentane-1-carboxylic acid?
The canonical SMILES for 1-(2-methyl-1,3-thiazol-4-yl)-3-oxocyclopentane-1-carboxylic acid is Cc1nc(C2(C(=O)O)CCC(=O)C2)cs1.
What is the InChIKey of 1-(2-methyl-1,3-thiazol-4-yl)-3-oxocyclopentane-1-carboxylic acid?
The InChIKey is XFYKRBGNZVRLGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3S/c1-6-11-8(5-15-6)10(9(13)14)3-2-7(12)4-10/h5H,2-4H2,1H3,(H,13,14).
What are the key properties of 1-(2-methyl-1,3-thiazol-4-yl)-3-oxocyclopentane-1-carboxylic acid?
1-(2-methyl-1,3-thiazol-4-yl)-3-oxocyclopentane-1-carboxylic acid has a molecular weight of 225.27 g/mol, XLogP of 1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-1,3-thiazol-4-yl)-3-oxocyclopentane-1-carboxylic acid is sourced from PubChem (CID 58654160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).