2-[[1-(1,2,4-thiadiazol-5-yl)piperidin-3-yl]methylamino]acetic acid

C10H16N4O2S — CID 106814368

IUPAC2-[[1-(1,2,4-thiadiazol-5-yl)piperidin-3-yl]methylamino]acetic acid
SMILESO=C(O)CNCC1CCCN(c2ncns2)C1
InChIInChI=1S/C10H16N4O2S/c15-9(16)5-11-4-8-2-1-3-14(6-8)10-12-7-13-17-10/h7-8,11H,1-6H2,(H,15,16)
InChIKeyLOPPCYQIFJTYHM-UHFFFAOYSA-N
MW256.33 g/mol
LogP0.43
Rot. Bonds5

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

2-[[1-(1,2,4-thiadiazol-5-yl)piperidin-3-yl]methylamino]acetic acid (PubChem CID 106814368) has the molecular formula C10H16N4O2S and a molecular weight of 256.33 g/mol. Its IUPAC name is 2-[[1-(1,2,4-thiadiazol-5-yl)piperidin-3-yl]methylamino]acetic acid.

Molecular Properties

Compound Name2-[[1-(1,2,4-thiadiazol-5-yl)piperidin-3-yl]methylamino]acetic acid
PubChem CID106814368
Molecular FormulaC10H16N4O2S
Molecular Weight256.33 g/mol
Exact Mass256.10
IUPAC Name2-[[1-(1,2,4-thiadiazol-5-yl)piperidin-3-yl]methylamino]acetic acid
SMILESO=C(O)CNCC1CCCN(c2ncns2)C1
InChIInChI=1S/C10H16N4O2S/c15-9(16)5-11-4-8-2-1-3-14(6-8)10-12-7-13-17-10/h7-8,11H,1-6H2,(H,15,16)
InChIKeyLOPPCYQIFJTYHM-UHFFFAOYSA-N
XLogP0.43
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[1-(1,2,4-thiadiazol-5-yl)piperidin-3-yl]propanoic acid
CID 65270092
[1-(1,2,4-thiadiazol-5-yl)piperidin-3-yl]methanol
CID 65275221
2-[1-(1,2,4-thiadiazol-5-yl)piperidin-3-yl]ethanol
CID 65274887
2-[[1-(5-iodopyrimidin-2-yl)piperidin-3-yl]methylamino]acetic acid
CID 106814374
2-[[1-(6-methoxypyrimidin-4-yl)piperidin-3-yl]methylamino]acetic acid
CID 106814254
2-[[1-[2-(dimethylamino)pyrimidin-4-yl]piperidin-3-yl]methylamino]acetic acid
CID 106814327
2-[[1-(3-chloro-4-pyridinyl)piperidin-3-yl]methylamino]acetic acid
CID 106814280
2-[[1-(5-bromo-4-methyl-2-pyridinyl)piperidin-3-yl]methylamino]acetic acid
CID 106814312
2-[4-(1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]acetic acid
CID 65270203
2-[[1-(6-ethoxy-2-pyridinyl)piperidin-3-yl]methylamino]acetic acid
CID 106814350
5-[3-(chloromethyl)pyrrolidin-1-yl]-1,2,4-thiadiazole
CID 65277809
2-[[1-(3-chloro-4-cyano-2-pyridinyl)piperidin-3-yl]methylamino]acetic acid
CID 107061429

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(1,2,4-thiadiazol-5-yl)piperidin-3-yl]methylamino]acetic acid?
The IUPAC name of 2-[[1-(1,2,4-thiadiazol-5-yl)piperidin-3-yl]methylamino]acetic acid (CID 106814368) is 2-[[1-(1,2,4-thiadiazol-5-yl)piperidin-3-yl]methylamino]acetic acid.
What is the SMILES notation for 2-[[1-(1,2,4-thiadiazol-5-yl)piperidin-3-yl]methylamino]acetic acid?
The canonical SMILES for 2-[[1-(1,2,4-thiadiazol-5-yl)piperidin-3-yl]methylamino]acetic acid is O=C(O)CNCC1CCCN(c2ncns2)C1.
What is the InChIKey of 2-[[1-(1,2,4-thiadiazol-5-yl)piperidin-3-yl]methylamino]acetic acid?
The InChIKey is LOPPCYQIFJTYHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2S/c15-9(16)5-11-4-8-2-1-3-14(6-8)10-12-7-13-17-10/h7-8,11H,1-6H2,(H,15,16).
What are the key properties of 2-[[1-(1,2,4-thiadiazol-5-yl)piperidin-3-yl]methylamino]acetic acid?
2-[[1-(1,2,4-thiadiazol-5-yl)piperidin-3-yl]methylamino]acetic acid has a molecular weight of 256.33 g/mol, XLogP of 0.43, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(1,2,4-thiadiazol-5-yl)piperidin-3-yl]methylamino]acetic acid is sourced from PubChem (CID 106814368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).