6-(2-cyclopentyl-4-methyl-1,3-thiazole-5-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid

C18H24N2O3S — CID 119175023

IUPAC6-(2-cyclopentyl-4-methyl-1,3-thiazole-5-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
SMILESCc1nc(C2CCCC2)sc1C(=O)N1CCC2(CC1)CC2C(=O)O
InChIInChI=1S/C18H24N2O3S/c1-11-14(24-15(19-11)12-4-2-3-5-12)16(21)20-8-6-18(7-9-20)10-13(18)17(22)23/h12-13H,2-10H2,1H3,(H,22,23)
InChIKeyKZODYKUQVXDIKI-UHFFFAOYSA-N
MW348.47 g/mol
LogP3.44
Rot. Bonds3

About 6-(2-cyclopentyl-4-methyl-1,3-thiazole-5-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid

6-(2-cyclopentyl-4-methyl-1,3-thiazole-5-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid (PubChem CID 119175023) has the molecular formula C18H24N2O3S and a molecular weight of 348.47 g/mol. Its IUPAC name is 6-(2-cyclopentyl-4-methyl-1,3-thiazole-5-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid.

Molecular Properties

Compound Name6-(2-cyclopentyl-4-methyl-1,3-thiazole-5-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
PubChem CID119175023
Molecular FormulaC18H24N2O3S
Molecular Weight348.47 g/mol
Exact Mass348.15
IUPAC Name6-(2-cyclopentyl-4-methyl-1,3-thiazole-5-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
SMILESCc1nc(C2CCCC2)sc1C(=O)N1CCC2(CC1)CC2C(=O)O
InChIInChI=1S/C18H24N2O3S/c1-11-14(24-15(19-11)12-4-2-3-5-12)16(21)20-8-6-18(7-9-20)10-13(18)17(22)23/h12-13H,2-10H2,1H3,(H,22,23)
InChIKeyKZODYKUQVXDIKI-UHFFFAOYSA-N
XLogP3.44
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-(2-cyclopentyl-4-methyl-1,3-thiazole-5-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid with MolForge

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Related Compounds

6-[4-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carbonyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119175351
(2-cyclopropyl-4-methyl-1,3-thiazol-5-yl)-(4-methylpiperazin-1-yl)methanone
CID 110694309
(2-cyclopentyl-4-methyl-1,3-thiazol-5-yl)-(3-hydroxypiperidin-1-yl)methanone
CID 111470063
2-cyclobutyl-4-methyl-1,3-thiazole-5-carboxylic acid
CID 64982497
(2-cyclopentyl-4-methyl-1,3-thiazol-5-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 126776733
[3-(aminomethyl)pyrrolidin-1-yl]-(2-cyclopentyl-4-methyl-1,3-thiazol-5-yl)methanone;dihydrochloride
CID 119486828
(2-cyclopentyl-4-methyl-1,3-thiazol-5-yl)-[(3R)-3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 124613261
(2-cyclopentyl-4-methyl-1,3-thiazol-5-yl)-(4-pyridin-2-yl-1,4-diazepan-1-yl)methanone
CID 126776097
[4-(2-cyclopropyl-4-methyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 110694360
2-[[(2S)-4-(2-cyclopentyl-4-methyl-1,3-thiazole-5-carbonyl)morpholin-2-yl]methyl-methylamino]acetic acid
CID 129346778
6-(4-fluoro-3-methyl-1-benzothiophene-2-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119175443
(2R)-6-(5-methylfuran-3-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 129469595

Frequently Asked Questions

What is the IUPAC name of 6-(2-cyclopentyl-4-methyl-1,3-thiazole-5-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid?
The IUPAC name of 6-(2-cyclopentyl-4-methyl-1,3-thiazole-5-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid (CID 119175023) is 6-(2-cyclopentyl-4-methyl-1,3-thiazole-5-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid.
What is the SMILES notation for 6-(2-cyclopentyl-4-methyl-1,3-thiazole-5-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid?
The canonical SMILES for 6-(2-cyclopentyl-4-methyl-1,3-thiazole-5-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid is Cc1nc(C2CCCC2)sc1C(=O)N1CCC2(CC1)CC2C(=O)O.
What is the InChIKey of 6-(2-cyclopentyl-4-methyl-1,3-thiazole-5-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid?
The InChIKey is KZODYKUQVXDIKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3S/c1-11-14(24-15(19-11)12-4-2-3-5-12)16(21)20-8-6-18(7-9-20)10-13(18)17(22)23/h12-13H,2-10H2,1H3,(H,22,23).
What are the key properties of 6-(2-cyclopentyl-4-methyl-1,3-thiazole-5-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid?
6-(2-cyclopentyl-4-methyl-1,3-thiazole-5-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid has a molecular weight of 348.47 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-cyclopentyl-4-methyl-1,3-thiazole-5-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid is sourced from PubChem (CID 119175023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).