3-methyl-1-(4-propan-2-ylthiadiazole-5-carbonyl)piperidine-3-carboxylic acid

C13H19N3O3S — CID 65204553

IUPAC3-methyl-1-(4-propan-2-ylthiadiazole-5-carbonyl)piperidine-3-carboxylic acid
SMILESCC(C)c1nnsc1C(=O)N1CCCC(C)(C(=O)O)C1
InChIInChI=1S/C13H19N3O3S/c1-8(2)9-10(20-15-14-9)11(17)16-6-4-5-13(3,7-16)12(18)19/h8H,4-7H2,1-3H3,(H,18,19)
InChIKeyAOSOKHJCGHFLPL-UHFFFAOYSA-N
MW297.38 g/mol
LogP1.99
Rot. Bonds3

About 3-methyl-1-(4-propan-2-ylthiadiazole-5-carbonyl)piperidine-3-carboxylic acid

3-methyl-1-(4-propan-2-ylthiadiazole-5-carbonyl)piperidine-3-carboxylic acid (PubChem CID 65204553) has the molecular formula C13H19N3O3S and a molecular weight of 297.38 g/mol. Its IUPAC name is 3-methyl-1-(4-propan-2-ylthiadiazole-5-carbonyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-(4-propan-2-ylthiadiazole-5-carbonyl)piperidine-3-carboxylic acid
PubChem CID65204553
Molecular FormulaC13H19N3O3S
Molecular Weight297.38 g/mol
Exact Mass297.11
IUPAC Name3-methyl-1-(4-propan-2-ylthiadiazole-5-carbonyl)piperidine-3-carboxylic acid
SMILESCC(C)c1nnsc1C(=O)N1CCCC(C)(C(=O)O)C1
InChIInChI=1S/C13H19N3O3S/c1-8(2)9-10(20-15-14-9)11(17)16-6-4-5-13(3,7-16)12(18)19/h8H,4-7H2,1-3H3,(H,18,19)
InChIKeyAOSOKHJCGHFLPL-UHFFFAOYSA-N
XLogP1.99
TPSA83.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-ethyl-1-(4-propan-2-ylthiadiazole-5-carbonyl)piperidine-4-carboxylic acid
CID 65204507
(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
1-(4-propan-2-ylthiadiazole-5-carbonyl)piperidin-4-one
CID 65204766
3-methyl-1-(thiadiazole-5-carbonyl)piperidine-3-carboxylic acid
CID 55166836
4-(4-propan-2-ylthiadiazole-5-carbonyl)morpholine-2-carboxylic acid
CID 65204851
N'-hydroxy-1-(4-propan-2-ylthiadiazole-5-carbonyl)piperidine-4-carboximidamide
CID 77059620
3-methyl-1-(thiatriazol-5-ylcarbamoyl)piperidine-3-carboxylic acid
CID 114913385
3-methyl-1-(6-methylpyridazine-3-carbonyl)piperidine-3-carboxylic acid
CID 154841847
ethyl (3S)-1-(4-propan-2-ylthiadiazole-5-carbonyl)piperidine-3-carboxylate
CID 115535606
1-(4-ethylthiadiazole-5-carbonyl)-4-methylpiperidine-4-carboxylic acid
CID 65205242
1-(dimethylcarbamoyl)-3-methylpiperidine-3-carboxylic acid
CID 63136050

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(4-propan-2-ylthiadiazole-5-carbonyl)piperidine-3-carboxylic acid?
The IUPAC name of 3-methyl-1-(4-propan-2-ylthiadiazole-5-carbonyl)piperidine-3-carboxylic acid (CID 65204553) is 3-methyl-1-(4-propan-2-ylthiadiazole-5-carbonyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 3-methyl-1-(4-propan-2-ylthiadiazole-5-carbonyl)piperidine-3-carboxylic acid?
The canonical SMILES for 3-methyl-1-(4-propan-2-ylthiadiazole-5-carbonyl)piperidine-3-carboxylic acid is CC(C)c1nnsc1C(=O)N1CCCC(C)(C(=O)O)C1.
What is the InChIKey of 3-methyl-1-(4-propan-2-ylthiadiazole-5-carbonyl)piperidine-3-carboxylic acid?
The InChIKey is AOSOKHJCGHFLPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3S/c1-8(2)9-10(20-15-14-9)11(17)16-6-4-5-13(3,7-16)12(18)19/h8H,4-7H2,1-3H3,(H,18,19).
What are the key properties of 3-methyl-1-(4-propan-2-ylthiadiazole-5-carbonyl)piperidine-3-carboxylic acid?
3-methyl-1-(4-propan-2-ylthiadiazole-5-carbonyl)piperidine-3-carboxylic acid has a molecular weight of 297.38 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(4-propan-2-ylthiadiazole-5-carbonyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 65204553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).