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

C18H17ClN2O3S — CID 119174547

IUPAC6-[2-(4-chlorophenyl)-1,3-thiazole-4-carbonyl]-6-azaspiro[2.5]octane-2-carboxylic acid
SMILESO=C(O)C1CC12CCN(C(=O)c1csc(-c3ccc(Cl)cc3)n1)CC2
InChIInChI=1S/C18H17ClN2O3S/c19-12-3-1-11(2-4-12)15-20-14(10-25-15)16(22)21-7-5-18(6-8-21)9-13(18)17(23)24/h1-4,10,13H,5-9H2,(H,23,24)
InChIKeyBVIYPXKVFHQSAB-UHFFFAOYSA-N
MW376.87 g/mol
LogP3.79
Rot. Bonds3

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

6-[2-(4-chlorophenyl)-1,3-thiazole-4-carbonyl]-6-azaspiro[2.5]octane-2-carboxylic acid (PubChem CID 119174547) has the molecular formula C18H17ClN2O3S and a molecular weight of 376.87 g/mol. Its IUPAC name is 6-[2-(4-chlorophenyl)-1,3-thiazole-4-carbonyl]-6-azaspiro[2.5]octane-2-carboxylic acid.

Molecular Properties

Compound Name6-[2-(4-chlorophenyl)-1,3-thiazole-4-carbonyl]-6-azaspiro[2.5]octane-2-carboxylic acid
PubChem CID119174547
Molecular FormulaC18H17ClN2O3S
Molecular Weight376.87 g/mol
Exact Mass376.06
IUPAC Name6-[2-(4-chlorophenyl)-1,3-thiazole-4-carbonyl]-6-azaspiro[2.5]octane-2-carboxylic acid
SMILESO=C(O)C1CC12CCN(C(=O)c1csc(-c3ccc(Cl)cc3)n1)CC2
InChIInChI=1S/C18H17ClN2O3S/c19-12-3-1-11(2-4-12)15-20-14(10-25-15)16(22)21-7-5-18(6-8-21)9-13(18)17(23)24/h1-4,10,13H,5-9H2,(H,23,24)
InChIKeyBVIYPXKVFHQSAB-UHFFFAOYSA-N
XLogP3.79
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.87
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

6-(4-chlorobenzoyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119175381
6-[2-(oxolan-2-yl)-1,3-thiazole-4-carbonyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 120514810
N-[1-[2-(4-chlorophenyl)-1,3-thiazole-4-carbonyl]piperidin-4-yl]benzamide
CID 34424164
1-[2-(4-chlorophenyl)-1,3-thiazole-4-carbonyl]piperidine-2-carboxylic acid
CID 119175795
[4-(4-chlorophenoxy)piperidin-1-yl]-(2-phenyl-1,3-thiazol-4-yl)methanone
CID 166338837
1-[2-(4-methylphenyl)-1,3-thiazole-4-carbonyl]-4-phenylpiperidine-4-carboxylic acid
CID 45338261
N-tert-butyl-2-[4-[2-(4-chlorophenyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]acetamide
CID 24547489
6-(5-methyl-1,2-oxazole-3-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119136491
6-(1,2,5-thiadiazole-3-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119175147
(5R)-7-amino-2-[2-(4-chlorophenyl)-1,3-thiazole-4-carbonyl]-9,9-dimethyl-2-azaspiro[4.5]dec-6-en-8-one
CID 162441670
[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methanone
CID 46579239
[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-(2-phenylpyrrolidin-1-yl)methanone
CID 24658232

Frequently Asked Questions

What is the IUPAC name of 6-[2-(4-chlorophenyl)-1,3-thiazole-4-carbonyl]-6-azaspiro[2.5]octane-2-carboxylic acid?
The IUPAC name of 6-[2-(4-chlorophenyl)-1,3-thiazole-4-carbonyl]-6-azaspiro[2.5]octane-2-carboxylic acid (CID 119174547) is 6-[2-(4-chlorophenyl)-1,3-thiazole-4-carbonyl]-6-azaspiro[2.5]octane-2-carboxylic acid.
What is the SMILES notation for 6-[2-(4-chlorophenyl)-1,3-thiazole-4-carbonyl]-6-azaspiro[2.5]octane-2-carboxylic acid?
The canonical SMILES for 6-[2-(4-chlorophenyl)-1,3-thiazole-4-carbonyl]-6-azaspiro[2.5]octane-2-carboxylic acid is O=C(O)C1CC12CCN(C(=O)c1csc(-c3ccc(Cl)cc3)n1)CC2.
What is the InChIKey of 6-[2-(4-chlorophenyl)-1,3-thiazole-4-carbonyl]-6-azaspiro[2.5]octane-2-carboxylic acid?
The InChIKey is BVIYPXKVFHQSAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O3S/c19-12-3-1-11(2-4-12)15-20-14(10-25-15)16(22)21-7-5-18(6-8-21)9-13(18)17(23)24/h1-4,10,13H,5-9H2,(H,23,24).
What are the key properties of 6-[2-(4-chlorophenyl)-1,3-thiazole-4-carbonyl]-6-azaspiro[2.5]octane-2-carboxylic acid?
6-[2-(4-chlorophenyl)-1,3-thiazole-4-carbonyl]-6-azaspiro[2.5]octane-2-carboxylic acid has a molecular weight of 376.87 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(4-chlorophenyl)-1,3-thiazole-4-carbonyl]-6-azaspiro[2.5]octane-2-carboxylic acid is sourced from PubChem (CID 119174547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).