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

C17H20N4O3S — CID 119175351

IUPAC6-[4-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carbonyl]-6-azaspiro[2.5]octane-2-carboxylic acid
SMILESCc1nc(-c2cnn(C)c2)sc1C(=O)N1CCC2(CC1)CC2C(=O)O
InChIInChI=1S/C17H20N4O3S/c1-10-13(25-14(19-10)11-8-18-20(2)9-11)15(22)21-5-3-17(4-6-21)7-12(17)16(23)24/h8-9,12H,3-7H2,1-2H3,(H,23,24)
InChIKeyUMBOGIITAIJSTC-UHFFFAOYSA-N
MW360.44 g/mol
LogP2.18
Rot. Bonds3

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

6-[4-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carbonyl]-6-azaspiro[2.5]octane-2-carboxylic acid (PubChem CID 119175351) has the molecular formula C17H20N4O3S and a molecular weight of 360.44 g/mol. Its IUPAC name is 6-[4-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carbonyl]-6-azaspiro[2.5]octane-2-carboxylic acid.

Molecular Properties

Compound Name6-[4-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carbonyl]-6-azaspiro[2.5]octane-2-carboxylic acid
PubChem CID119175351
Molecular FormulaC17H20N4O3S
Molecular Weight360.44 g/mol
Exact Mass360.13
IUPAC Name6-[4-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carbonyl]-6-azaspiro[2.5]octane-2-carboxylic acid
SMILESCc1nc(-c2cnn(C)c2)sc1C(=O)N1CCC2(CC1)CC2C(=O)O
InChIInChI=1S/C17H20N4O3S/c1-10-13(25-14(19-10)11-8-18-20(2)9-11)15(22)21-5-3-17(4-6-21)7-12(17)16(23)24/h8-9,12H,3-7H2,1-2H3,(H,23,24)
InChIKeyUMBOGIITAIJSTC-UHFFFAOYSA-N
XLogP2.18
TPSA88.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

(2S)-1-[4-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carbonyl]pyrrolidine-2-carboxylic acid
CID 119365970
(3S,4S)-1-[4-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carbonyl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 120951451
6-(2-cyclopentyl-4-methyl-1,3-thiazole-5-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119175023
[3-(methylamino)piperidin-1-yl]-[4-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]methanone
CID 119488915
1-[4-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]ethanone
CID 61059598
methyl 4-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxylate
CID 78916354
4-hydroxy-1-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)piperidine-4-carboxylic acid
CID 119250782
1-[[4-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 119176691
2-[1-[[4-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carbonyl]amino]cyclobutyl]acetic acid
CID 119217913
6-(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119128069
N-[(1,4-dimethylpiperidin-4-yl)methyl]-4-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide
CID 75451531
6-(4-methyl-2-phenyl-1,3-oxazole-5-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 120514826

Frequently Asked Questions

What is the IUPAC name of 6-[4-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carbonyl]-6-azaspiro[2.5]octane-2-carboxylic acid?
The IUPAC name of 6-[4-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carbonyl]-6-azaspiro[2.5]octane-2-carboxylic acid (CID 119175351) is 6-[4-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carbonyl]-6-azaspiro[2.5]octane-2-carboxylic acid.
What is the SMILES notation for 6-[4-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carbonyl]-6-azaspiro[2.5]octane-2-carboxylic acid?
The canonical SMILES for 6-[4-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carbonyl]-6-azaspiro[2.5]octane-2-carboxylic acid is Cc1nc(-c2cnn(C)c2)sc1C(=O)N1CCC2(CC1)CC2C(=O)O.
What is the InChIKey of 6-[4-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carbonyl]-6-azaspiro[2.5]octane-2-carboxylic acid?
The InChIKey is UMBOGIITAIJSTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3S/c1-10-13(25-14(19-10)11-8-18-20(2)9-11)15(22)21-5-3-17(4-6-21)7-12(17)16(23)24/h8-9,12H,3-7H2,1-2H3,(H,23,24).
What are the key properties of 6-[4-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carbonyl]-6-azaspiro[2.5]octane-2-carboxylic acid?
6-[4-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carbonyl]-6-azaspiro[2.5]octane-2-carboxylic acid has a molecular weight of 360.44 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carbonyl]-6-azaspiro[2.5]octane-2-carboxylic acid is sourced from PubChem (CID 119175351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).