2,6-diaminohexanoic acid;1,3-thiazole-2-carboxylic acid

C10H17N3O4S — CID 22283606

IUPAC2,6-diaminohexanoic acid;1,3-thiazole-2-carboxylic acid
SMILESNCCCCC(N)C(=O)O.O=C(O)c1nccs1
InChIInChI=1S/C6H14N2O2.C4H3NO2S/c7-4-2-1-3-5(8)6(9)10;6-4(7)3-5-1-2-8-3/h5H,1-4,7-8H2,(H,9,10);1-2H,(H,6,7)
InChIKeyDZPNAHMBNCBROI-UHFFFAOYSA-N
MW275.33 g/mol
LogP0.37
Rot. Bonds6

About 2,6-diaminohexanoic acid;1,3-thiazole-2-carboxylic acid

2,6-diaminohexanoic acid;1,3-thiazole-2-carboxylic acid (PubChem CID 22283606) has the molecular formula C10H17N3O4S and a molecular weight of 275.33 g/mol. Its IUPAC name is 2,6-diaminohexanoic acid;1,3-thiazole-2-carboxylic acid.

Molecular Properties

Compound Name2,6-diaminohexanoic acid;1,3-thiazole-2-carboxylic acid
PubChem CID22283606
Molecular FormulaC10H17N3O4S
Molecular Weight275.33 g/mol
Exact Mass275.09
IUPAC Name2,6-diaminohexanoic acid;1,3-thiazole-2-carboxylic acid
SMILESNCCCCC(N)C(=O)O.O=C(O)c1nccs1
InChIInChI=1S/C6H14N2O2.C4H3NO2S/c7-4-2-1-3-5(8)6(9)10;6-4(7)3-5-1-2-8-3/h5H,1-4,7-8H2,(H,9,10);1-2H,(H,6,7)
InChIKeyDZPNAHMBNCBROI-UHFFFAOYSA-N
XLogP0.37
TPSA139.53 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 50.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,6-diaminohexanoic acid;1,3-thiazole-2-carboxylic acid?
The IUPAC name of 2,6-diaminohexanoic acid;1,3-thiazole-2-carboxylic acid (CID 22283606) is 2,6-diaminohexanoic acid;1,3-thiazole-2-carboxylic acid.
What is the SMILES notation for 2,6-diaminohexanoic acid;1,3-thiazole-2-carboxylic acid?
The canonical SMILES for 2,6-diaminohexanoic acid;1,3-thiazole-2-carboxylic acid is NCCCCC(N)C(=O)O.O=C(O)c1nccs1.
What is the InChIKey of 2,6-diaminohexanoic acid;1,3-thiazole-2-carboxylic acid?
The InChIKey is DZPNAHMBNCBROI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O2.C4H3NO2S/c7-4-2-1-3-5(8)6(9)10;6-4(7)3-5-1-2-8-3/h5H,1-4,7-8H2,(H,9,10);1-2H,(H,6,7).
What are the key properties of 2,6-diaminohexanoic acid;1,3-thiazole-2-carboxylic acid?
2,6-diaminohexanoic acid;1,3-thiazole-2-carboxylic acid has a molecular weight of 275.33 g/mol, XLogP of 0.37, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diaminohexanoic acid;1,3-thiazole-2-carboxylic acid is sourced from PubChem (CID 22283606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).