1-(4-ethylthiadiazole-5-carbonyl)-4-methylpiperidine-4-carboxylic acid

C12H17N3O3S — CID 65205242

IUPAC1-(4-ethylthiadiazole-5-carbonyl)-4-methylpiperidine-4-carboxylic acid
SMILESCCc1nnsc1C(=O)N1CCC(C)(C(=O)O)CC1
InChIInChI=1S/C12H17N3O3S/c1-3-8-9(19-14-13-8)10(16)15-6-4-12(2,5-7-15)11(17)18/h3-7H2,1-2H3,(H,17,18)
InChIKeyKCIVEISCWAIFOU-UHFFFAOYSA-N
MW283.35 g/mol
LogP1.43
Rot. Bonds3

About 1-(4-ethylthiadiazole-5-carbonyl)-4-methylpiperidine-4-carboxylic acid

1-(4-ethylthiadiazole-5-carbonyl)-4-methylpiperidine-4-carboxylic acid (PubChem CID 65205242) has the molecular formula C12H17N3O3S and a molecular weight of 283.35 g/mol. Its IUPAC name is 1-(4-ethylthiadiazole-5-carbonyl)-4-methylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(4-ethylthiadiazole-5-carbonyl)-4-methylpiperidine-4-carboxylic acid
PubChem CID65205242
Molecular FormulaC12H17N3O3S
Molecular Weight283.35 g/mol
Exact Mass283.10
IUPAC Name1-(4-ethylthiadiazole-5-carbonyl)-4-methylpiperidine-4-carboxylic acid
SMILESCCc1nnsc1C(=O)N1CCC(C)(C(=O)O)CC1
InChIInChI=1S/C12H17N3O3S/c1-3-8-9(19-14-13-8)10(16)15-6-4-12(2,5-7-15)11(17)18/h3-7H2,1-2H3,(H,17,18)
InChIKeyKCIVEISCWAIFOU-UHFFFAOYSA-N
XLogP1.43
TPSA83.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-1-(4-ethylthiadiazole-5-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 124512513
(3S)-1-(4-ethylthiadiazole-5-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 124512514
(3S)-1-(4-ethylthiadiazole-5-carbonyl)pyrrolidine-3-carboxylic acid
CID 124512511
(4-ethylthiadiazol-5-yl)-(4-hydroxyiminopiperidin-1-yl)methanone
CID 65205038
4-methyl-1-(4-propylthiadiazole-5-carbonyl)piperidine-4-carbonitrile
CID 107160763
[4-(2-bromoethyl)piperazin-1-yl]-(4-ethylthiadiazol-5-yl)methanone
CID 80660823
[4-(bromomethyl)piperidin-1-yl]-(4-ethylthiadiazol-5-yl)methanone
CID 80678099
3-ethyl-1-(4-ethylthiadiazole-5-carbonyl)piperidin-4-one
CID 114508168
(4-ethylthiadiazol-5-yl)-[4-[(2S)-2-hydroxybutyl]piperazin-1-yl]methanone
CID 95353960
(4-ethylthiadiazol-5-yl)-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119543322
(4-ethylthiadiazol-5-yl)-[(5S,6S)-6-hydroxy-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 110156524
(4-ethylthiadiazol-5-yl)-[(3S)-3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanone
CID 124948128

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylthiadiazole-5-carbonyl)-4-methylpiperidine-4-carboxylic acid?
The IUPAC name of 1-(4-ethylthiadiazole-5-carbonyl)-4-methylpiperidine-4-carboxylic acid (CID 65205242) is 1-(4-ethylthiadiazole-5-carbonyl)-4-methylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-(4-ethylthiadiazole-5-carbonyl)-4-methylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-(4-ethylthiadiazole-5-carbonyl)-4-methylpiperidine-4-carboxylic acid is CCc1nnsc1C(=O)N1CCC(C)(C(=O)O)CC1.
What is the InChIKey of 1-(4-ethylthiadiazole-5-carbonyl)-4-methylpiperidine-4-carboxylic acid?
The InChIKey is KCIVEISCWAIFOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3S/c1-3-8-9(19-14-13-8)10(16)15-6-4-12(2,5-7-15)11(17)18/h3-7H2,1-2H3,(H,17,18).
What are the key properties of 1-(4-ethylthiadiazole-5-carbonyl)-4-methylpiperidine-4-carboxylic acid?
1-(4-ethylthiadiazole-5-carbonyl)-4-methylpiperidine-4-carboxylic acid has a molecular weight of 283.35 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylthiadiazole-5-carbonyl)-4-methylpiperidine-4-carboxylic acid is sourced from PubChem (CID 65205242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).