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

C10H13N3O4S — CID 65214503

IUPAC2-[1-(thiadiazole-4-carbonyl)piperidin-4-yl]oxyacetic acid
SMILESO=C(O)COC1CCN(C(=O)c2csnn2)CC1
InChIInChI=1S/C10H13N3O4S/c14-9(15)5-17-7-1-3-13(4-2-7)10(16)8-6-18-12-11-8/h6-7H,1-5H2,(H,14,15)
InChIKeyIFOSZGODPIEZGQ-UHFFFAOYSA-N
MW271.30 g/mol
LogP0.24
Rot. Bonds4

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

2-[1-(thiadiazole-4-carbonyl)piperidin-4-yl]oxyacetic acid (PubChem CID 65214503) has the molecular formula C10H13N3O4S and a molecular weight of 271.30 g/mol. Its IUPAC name is 2-[1-(thiadiazole-4-carbonyl)piperidin-4-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[1-(thiadiazole-4-carbonyl)piperidin-4-yl]oxyacetic acid
PubChem CID65214503
Molecular FormulaC10H13N3O4S
Molecular Weight271.30 g/mol
Exact Mass271.06
IUPAC Name2-[1-(thiadiazole-4-carbonyl)piperidin-4-yl]oxyacetic acid
SMILESO=C(O)COC1CCN(C(=O)c2csnn2)CC1
InChIInChI=1S/C10H13N3O4S/c14-9(15)5-17-7-1-3-13(4-2-7)10(16)8-6-18-12-11-8/h6-7H,1-5H2,(H,14,15)
InChIKeyIFOSZGODPIEZGQ-UHFFFAOYSA-N
XLogP0.24
TPSA92.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.30
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(4-chloropiperidin-1-yl)-(thiadiazol-4-yl)methanone
CID 65216412
2-[1-(4-chloropyridine-2-carbonyl)piperidin-4-yl]oxyacetic acid
CID 63870387
2-[1-[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]piperidin-4-yl]oxyacetic acid
CID 66388408
1-(thiadiazole-4-carbonyl)piperidine-3,4-dicarboxylic acid
CID 112567973
2-[1-(4-methylthiophene-3-carbonyl)piperidin-4-yl]oxyacetic acid
CID 79802681
2-[1-[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]piperidin-4-yl]oxyacetic acid
CID 66156931
2-[1-(3,6-dichloropyridazine-4-carbonyl)piperidin-4-yl]oxyacetic acid
CID 63870220
2-[1-(4-iodobenzoyl)piperidin-4-yl]oxyacetic acid
CID 63869906
2-[1-(3,5-dichlorobenzoyl)piperidin-4-yl]oxyacetic acid
CID 63870230
2-[1-(4-methoxythiophene-2-carbonyl)piperidin-4-yl]oxyacetic acid
CID 81127210
[4-(2-hydroxyethyl)piperazin-1-yl]-(thiadiazol-4-yl)methanone
CID 61067356
2-[1-(6-chloropyridine-3-carbonyl)piperidin-4-yl]oxyacetic acid
CID 63869549

Frequently Asked Questions

What is the IUPAC name of 2-[1-(thiadiazole-4-carbonyl)piperidin-4-yl]oxyacetic acid?
The IUPAC name of 2-[1-(thiadiazole-4-carbonyl)piperidin-4-yl]oxyacetic acid (CID 65214503) is 2-[1-(thiadiazole-4-carbonyl)piperidin-4-yl]oxyacetic acid.
What is the SMILES notation for 2-[1-(thiadiazole-4-carbonyl)piperidin-4-yl]oxyacetic acid?
The canonical SMILES for 2-[1-(thiadiazole-4-carbonyl)piperidin-4-yl]oxyacetic acid is O=C(O)COC1CCN(C(=O)c2csnn2)CC1.
What is the InChIKey of 2-[1-(thiadiazole-4-carbonyl)piperidin-4-yl]oxyacetic acid?
The InChIKey is IFOSZGODPIEZGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O4S/c14-9(15)5-17-7-1-3-13(4-2-7)10(16)8-6-18-12-11-8/h6-7H,1-5H2,(H,14,15).
What are the key properties of 2-[1-(thiadiazole-4-carbonyl)piperidin-4-yl]oxyacetic acid?
2-[1-(thiadiazole-4-carbonyl)piperidin-4-yl]oxyacetic acid has a molecular weight of 271.30 g/mol, XLogP of 0.24, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(thiadiazole-4-carbonyl)piperidin-4-yl]oxyacetic acid is sourced from PubChem (CID 65214503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).