2-(1,3,4-thiadiazol-2-ylcarbamoylamino)hexanoic acid

C9H14N4O3S — CID 61192363

IUPAC2-(1,3,4-thiadiazol-2-ylcarbamoylamino)hexanoic acid
SMILESCCCCC(NC(=O)Nc1nncs1)C(=O)O
InChIInChI=1S/C9H14N4O3S/c1-2-3-4-6(7(14)15)11-8(16)12-9-13-10-5-17-9/h5-6H,2-4H2,1H3,(H,14,15)(H2,11,12,13,16)
InChIKeyLELSBLFZKTZPQZ-UHFFFAOYSA-N
MW258.30 g/mol
LogP1.30
Rot. Bonds6

About 2-(1,3,4-thiadiazol-2-ylcarbamoylamino)hexanoic acid

2-(1,3,4-thiadiazol-2-ylcarbamoylamino)hexanoic acid (PubChem CID 61192363) has the molecular formula C9H14N4O3S and a molecular weight of 258.30 g/mol. Its IUPAC name is 2-(1,3,4-thiadiazol-2-ylcarbamoylamino)hexanoic acid.

Molecular Properties

Compound Name2-(1,3,4-thiadiazol-2-ylcarbamoylamino)hexanoic acid
PubChem CID61192363
Molecular FormulaC9H14N4O3S
Molecular Weight258.30 g/mol
Exact Mass258.08
IUPAC Name2-(1,3,4-thiadiazol-2-ylcarbamoylamino)hexanoic acid
SMILESCCCCC(NC(=O)Nc1nncs1)C(=O)O
InChIInChI=1S/C9H14N4O3S/c1-2-3-4-6(7(14)15)11-8(16)12-9-13-10-5-17-9/h5-6H,2-4H2,1H3,(H,14,15)(H2,11,12,13,16)
InChIKeyLELSBLFZKTZPQZ-UHFFFAOYSA-N
XLogP1.30
TPSA104.21 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3,4-thiadiazol-2-ylcarbamoylamino)hexanoic acid?
The IUPAC name of 2-(1,3,4-thiadiazol-2-ylcarbamoylamino)hexanoic acid (CID 61192363) is 2-(1,3,4-thiadiazol-2-ylcarbamoylamino)hexanoic acid.
What is the SMILES notation for 2-(1,3,4-thiadiazol-2-ylcarbamoylamino)hexanoic acid?
The canonical SMILES for 2-(1,3,4-thiadiazol-2-ylcarbamoylamino)hexanoic acid is CCCCC(NC(=O)Nc1nncs1)C(=O)O.
What is the InChIKey of 2-(1,3,4-thiadiazol-2-ylcarbamoylamino)hexanoic acid?
The InChIKey is LELSBLFZKTZPQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O3S/c1-2-3-4-6(7(14)15)11-8(16)12-9-13-10-5-17-9/h5-6H,2-4H2,1H3,(H,14,15)(H2,11,12,13,16).
What are the key properties of 2-(1,3,4-thiadiazol-2-ylcarbamoylamino)hexanoic acid?
2-(1,3,4-thiadiazol-2-ylcarbamoylamino)hexanoic acid has a molecular weight of 258.30 g/mol, XLogP of 1.30, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3,4-thiadiazol-2-ylcarbamoylamino)hexanoic acid is sourced from PubChem (CID 61192363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).