5-(1,2,4-thiadiazol-5-ylamino)hexanoic acid

C8H13N3O2S — CID 82846013

IUPAC5-(1,2,4-thiadiazol-5-ylamino)hexanoic acid
SMILESCC(CCCC(=O)O)Nc1ncns1
InChIInChI=1S/C8H13N3O2S/c1-6(3-2-4-7(12)13)11-8-9-5-10-14-8/h5-6H,2-4H2,1H3,(H,12,13)(H,9,10,11)
InChIKeyCZIUBXAXYKBIID-UHFFFAOYSA-N
MW215.28 g/mol
LogP1.59
Rot. Bonds6

About 5-(1,2,4-thiadiazol-5-ylamino)hexanoic acid

5-(1,2,4-thiadiazol-5-ylamino)hexanoic acid (PubChem CID 82846013) has the molecular formula C8H13N3O2S and a molecular weight of 215.28 g/mol. Its IUPAC name is 5-(1,2,4-thiadiazol-5-ylamino)hexanoic acid.

Molecular Properties

Compound Name5-(1,2,4-thiadiazol-5-ylamino)hexanoic acid
PubChem CID82846013
Molecular FormulaC8H13N3O2S
Molecular Weight215.28 g/mol
Exact Mass215.07
IUPAC Name5-(1,2,4-thiadiazol-5-ylamino)hexanoic acid
SMILESCC(CCCC(=O)O)Nc1ncns1
InChIInChI=1S/C8H13N3O2S/c1-6(3-2-4-7(12)13)11-8-9-5-10-14-8/h5-6H,2-4H2,1H3,(H,12,13)(H,9,10,11)
InChIKeyCZIUBXAXYKBIID-UHFFFAOYSA-N
XLogP1.59
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.28
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(1,2,4-thiadiazol-5-ylamino)hexanoic acid?
The IUPAC name of 5-(1,2,4-thiadiazol-5-ylamino)hexanoic acid (CID 82846013) is 5-(1,2,4-thiadiazol-5-ylamino)hexanoic acid.
What is the SMILES notation for 5-(1,2,4-thiadiazol-5-ylamino)hexanoic acid?
The canonical SMILES for 5-(1,2,4-thiadiazol-5-ylamino)hexanoic acid is CC(CCCC(=O)O)Nc1ncns1.
What is the InChIKey of 5-(1,2,4-thiadiazol-5-ylamino)hexanoic acid?
The InChIKey is CZIUBXAXYKBIID-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2S/c1-6(3-2-4-7(12)13)11-8-9-5-10-14-8/h5-6H,2-4H2,1H3,(H,12,13)(H,9,10,11).
What are the key properties of 5-(1,2,4-thiadiazol-5-ylamino)hexanoic acid?
5-(1,2,4-thiadiazol-5-ylamino)hexanoic acid has a molecular weight of 215.28 g/mol, XLogP of 1.59, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,2,4-thiadiazol-5-ylamino)hexanoic acid is sourced from PubChem (CID 82846013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).