2-[1-(4-ethylthiadiazole-5-carbonyl)piperidin-3-yl]acetic acid

C12H17N3O3S — CID 65206136

IUPAC2-[1-(4-ethylthiadiazole-5-carbonyl)piperidin-3-yl]acetic acid
SMILESCCc1nnsc1C(=O)N1CCCC(CC(=O)O)C1
InChIInChI=1S/C12H17N3O3S/c1-2-9-11(19-14-13-9)12(18)15-5-3-4-8(7-15)6-10(16)17/h8H,2-7H2,1H3,(H,16,17)
InChIKeyALCCASMSFFLIFF-UHFFFAOYSA-N
MW283.35 g/mol
LogP1.43
Rot. Bonds4

About 2-[1-(4-ethylthiadiazole-5-carbonyl)piperidin-3-yl]acetic acid

2-[1-(4-ethylthiadiazole-5-carbonyl)piperidin-3-yl]acetic acid (PubChem CID 65206136) has the molecular formula C12H17N3O3S and a molecular weight of 283.35 g/mol. Its IUPAC name is 2-[1-(4-ethylthiadiazole-5-carbonyl)piperidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(4-ethylthiadiazole-5-carbonyl)piperidin-3-yl]acetic acid
PubChem CID65206136
Molecular FormulaC12H17N3O3S
Molecular Weight283.35 g/mol
Exact Mass283.10
IUPAC Name2-[1-(4-ethylthiadiazole-5-carbonyl)piperidin-3-yl]acetic acid
SMILESCCc1nnsc1C(=O)N1CCCC(CC(=O)O)C1
InChIInChI=1S/C12H17N3O3S/c1-2-9-11(19-14-13-9)12(18)15-5-3-4-8(7-15)6-10(16)17/h8H,2-7H2,1H3,(H,16,17)
InChIKeyALCCASMSFFLIFF-UHFFFAOYSA-N
XLogP1.43
TPSA83.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
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

Analyze 2-[1-(4-ethylthiadiazole-5-carbonyl)piperidin-3-yl]acetic 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

[(3R)-3-aminopiperidin-1-yl]-(4-propylthiadiazol-5-yl)methanone
CID 102983632
(3-aminopiperidin-1-yl)-(4-propylthiadiazol-5-yl)methanone
CID 65210383
methyl 1-(4-ethylthiadiazole-5-carbonyl)piperidine-3-carboxylate
CID 78919199
(3S)-1-(4-ethylthiadiazole-5-carbonyl)pyrrolidine-3-carboxylic acid
CID 124512511
2-[[1-(4-methylthiadiazole-5-carbonyl)piperidin-3-yl]methylamino]acetic acid
CID 106813618
1-(4-propylthiadiazole-5-carbonyl)piperidine-3-carboxylic acid
CID 65206261
[4-(bromomethyl)piperidin-1-yl]-(4-ethylthiadiazol-5-yl)methanone
CID 80678099
[3-(hydroxymethyl)piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone
CID 43403557
2-cyclopentyl-1-(4-ethylthiadiazol-5-yl)ethanone
CID 105092243
(4-ethylthiadiazol-5-yl)-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119543322
(4-ethylthiadiazol-5-yl)-[(3S)-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)piperidin-1-yl]methanone
CID 39984969
[(3R)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-(4-propylthiadiazol-5-yl)methanone
CID 95550139

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-ethylthiadiazole-5-carbonyl)piperidin-3-yl]acetic acid?
The IUPAC name of 2-[1-(4-ethylthiadiazole-5-carbonyl)piperidin-3-yl]acetic acid (CID 65206136) is 2-[1-(4-ethylthiadiazole-5-carbonyl)piperidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(4-ethylthiadiazole-5-carbonyl)piperidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-(4-ethylthiadiazole-5-carbonyl)piperidin-3-yl]acetic acid is CCc1nnsc1C(=O)N1CCCC(CC(=O)O)C1.
What is the InChIKey of 2-[1-(4-ethylthiadiazole-5-carbonyl)piperidin-3-yl]acetic acid?
The InChIKey is ALCCASMSFFLIFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3S/c1-2-9-11(19-14-13-9)12(18)15-5-3-4-8(7-15)6-10(16)17/h8H,2-7H2,1H3,(H,16,17).
What are the key properties of 2-[1-(4-ethylthiadiazole-5-carbonyl)piperidin-3-yl]acetic acid?
2-[1-(4-ethylthiadiazole-5-carbonyl)piperidin-3-yl]acetic acid has a molecular weight of 283.35 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-ethylthiadiazole-5-carbonyl)piperidin-3-yl]acetic acid is sourced from PubChem (CID 65206136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).