3-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]propanoic acid

C11H17N3O2S — CID 65267660

IUPAC3-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]propanoic acid
SMILESCc1nsc(N2CCCCC2CCC(=O)O)n1
InChIInChI=1S/C11H17N3O2S/c1-8-12-11(17-13-8)14-7-3-2-4-9(14)5-6-10(15)16/h9H,2-7H2,1H3,(H,15,16)
InChIKeyCNNFBVNECNOTJA-UHFFFAOYSA-N
MW255.34 g/mol
LogP2.07
Rot. Bonds4

About 3-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]propanoic acid

3-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]propanoic acid (PubChem CID 65267660) has the molecular formula C11H17N3O2S and a molecular weight of 255.34 g/mol. Its IUPAC name is 3-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]propanoic acid
PubChem CID65267660
Molecular FormulaC11H17N3O2S
Molecular Weight255.34 g/mol
Exact Mass255.10
IUPAC Name3-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]propanoic acid
SMILESCc1nsc(N2CCCCC2CCC(=O)O)n1
InChIInChI=1S/C11H17N3O2S/c1-8-12-11(17-13-8)14-7-3-2-4-9(14)5-6-10(15)16/h9H,2-7H2,1H3,(H,15,16)
InChIKeyCNNFBVNECNOTJA-UHFFFAOYSA-N
XLogP2.07
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]methyl]methanesulfonamide
CID 154736702
5-[(2R)-2-(fluoromethyl)pyrrolidin-1-yl]-3-methyl-1,2,4-thiadiazole
CID 125143605
3-[1-(2-methylpyrimidin-4-yl)piperidin-2-yl]propanoic acid
CID 62785287
N-[[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]methyl]cyclopropanamine
CID 65272981
1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidine-2-carboxamide
CID 133424929
3-[1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidin-2-yl]propanoic acid
CID 136958739
3-[1-(3-cyano-2,6-dimethyl-4-pyridinyl)piperidin-2-yl]propanoic acid
CID 81050038
3-[1-(6-ethylpyrimidin-4-yl)piperidin-2-yl]propanoic acid
CID 62216304
4-methyl-2-(2-propylpiperidin-1-yl)-1,3-thiazole-5-carboxylic acid
CID 83061710
3-[1-(4-carbamoyl-1,3-dimethylpyrazol-5-yl)piperidin-2-yl]propanoic acid
CID 63758176
3-[1-(4-fluorophenyl)piperidin-2-yl]propanoic acid
CID 117028139
3-[1-(2-methyl-1,3-thiazole-4-carbonyl)piperidin-2-yl]propanoic acid
CID 65199299

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]propanoic acid?
The IUPAC name of 3-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]propanoic acid (CID 65267660) is 3-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]propanoic acid.
What is the SMILES notation for 3-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]propanoic acid?
The canonical SMILES for 3-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]propanoic acid is Cc1nsc(N2CCCCC2CCC(=O)O)n1.
What is the InChIKey of 3-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]propanoic acid?
The InChIKey is CNNFBVNECNOTJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2S/c1-8-12-11(17-13-8)14-7-3-2-4-9(14)5-6-10(15)16/h9H,2-7H2,1H3,(H,15,16).
What are the key properties of 3-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]propanoic acid?
3-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]propanoic acid has a molecular weight of 255.34 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]propanoic acid is sourced from PubChem (CID 65267660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).