3-[1-(thiadiazole-4-carbonyl)piperidin-2-yl]propanoic acid

C11H15N3O3S — CID 65214242

IUPAC3-[1-(thiadiazole-4-carbonyl)piperidin-2-yl]propanoic acid
SMILESO=C(O)CCC1CCCCN1C(=O)c1csnn1
InChIInChI=1S/C11H15N3O3S/c15-10(16)5-4-8-3-1-2-6-14(8)11(17)9-7-18-13-12-9/h7-8H,1-6H2,(H,15,16)
InChIKeyMXJAYLMGEAXBKP-UHFFFAOYSA-N
MW269.33 g/mol
LogP1.40
Rot. Bonds4

About 3-[1-(thiadiazole-4-carbonyl)piperidin-2-yl]propanoic acid

3-[1-(thiadiazole-4-carbonyl)piperidin-2-yl]propanoic acid (PubChem CID 65214242) has the molecular formula C11H15N3O3S and a molecular weight of 269.33 g/mol. Its IUPAC name is 3-[1-(thiadiazole-4-carbonyl)piperidin-2-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-(thiadiazole-4-carbonyl)piperidin-2-yl]propanoic acid
PubChem CID65214242
Molecular FormulaC11H15N3O3S
Molecular Weight269.33 g/mol
Exact Mass269.08
IUPAC Name3-[1-(thiadiazole-4-carbonyl)piperidin-2-yl]propanoic acid
SMILESO=C(O)CCC1CCCCN1C(=O)c1csnn1
InChIInChI=1S/C11H15N3O3S/c15-10(16)5-4-8-3-1-2-6-14(8)11(17)9-7-18-13-12-9/h7-8H,1-6H2,(H,15,16)
InChIKeyMXJAYLMGEAXBKP-UHFFFAOYSA-N
XLogP1.40
TPSA83.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(3-bromopropyl)pyrrolidin-1-yl]-(thiadiazol-4-yl)methanone
CID 80676172
3-[1-(2-methyl-1,3-thiazole-4-carbonyl)piperidin-2-yl]propanoic acid
CID 65199299
3-[1-(5-fluoropyridine-2-carbonyl)piperidin-2-yl]propanoic acid
CID 104638221
3-[1-(1-methyl-6-oxopyridazine-3-carbonyl)piperidin-2-yl]propanoic acid
CID 62217813
3-[(2R)-1-(1-phenylpyrazole-3-carbonyl)piperidin-2-yl]propanoic acid
CID 124701420
3-[(2R)-1-(4,6-dimethylpyrimidine-5-carbonyl)piperidin-2-yl]propanoic acid
CID 126450775
3-[1-[2-[(4-methylphenyl)methyl]-1,3-thiazole-4-carbonyl]piperidin-2-yl]propanoic acid
CID 120536762
3-[(2R)-1-[1-(4-fluorophenyl)triazole-4-carbonyl]piperidin-2-yl]propanoic acid
CID 124701425
3-[(2R)-1-(1-ethyl-6-oxopyridazine-3-carbonyl)piperidin-2-yl]propanoic acid
CID 124683832
3-[1-(5-cyanopyridine-2-carbonyl)piperidin-2-yl]propanoic acid
CID 63722666
2-[1-(thiadiazole-4-carbonyl)piperidin-2-yl]cyclohexan-1-one
CID 79553480
3-[1-(4,5-dibromothiophene-2-carbonyl)piperidin-2-yl]propanoic acid
CID 62217815

Frequently Asked Questions

What is the IUPAC name of 3-[1-(thiadiazole-4-carbonyl)piperidin-2-yl]propanoic acid?
The IUPAC name of 3-[1-(thiadiazole-4-carbonyl)piperidin-2-yl]propanoic acid (CID 65214242) is 3-[1-(thiadiazole-4-carbonyl)piperidin-2-yl]propanoic acid.
What is the SMILES notation for 3-[1-(thiadiazole-4-carbonyl)piperidin-2-yl]propanoic acid?
The canonical SMILES for 3-[1-(thiadiazole-4-carbonyl)piperidin-2-yl]propanoic acid is O=C(O)CCC1CCCCN1C(=O)c1csnn1.
What is the InChIKey of 3-[1-(thiadiazole-4-carbonyl)piperidin-2-yl]propanoic acid?
The InChIKey is MXJAYLMGEAXBKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3S/c15-10(16)5-4-8-3-1-2-6-14(8)11(17)9-7-18-13-12-9/h7-8H,1-6H2,(H,15,16).
What are the key properties of 3-[1-(thiadiazole-4-carbonyl)piperidin-2-yl]propanoic acid?
3-[1-(thiadiazole-4-carbonyl)piperidin-2-yl]propanoic acid has a molecular weight of 269.33 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(thiadiazole-4-carbonyl)piperidin-2-yl]propanoic acid is sourced from PubChem (CID 65214242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).