6-[(4-methyl-1,3-thiazole-5-carbonyl)amino]hexanoic acid

C11H16N2O3S — CID 18072622

IUPAC6-[(4-methyl-1,3-thiazole-5-carbonyl)amino]hexanoic acid
SMILESCc1ncsc1C(=O)NCCCCCC(=O)O
InChIInChI=1S/C11H16N2O3S/c1-8-10(17-7-13-8)11(16)12-6-4-2-3-5-9(14)15/h7H,2-6H2,1H3,(H,12,16)(H,14,15)
InChIKeyFNLWMDKUWMRIPI-UHFFFAOYSA-N
MW256.33 g/mol
LogP1.83
Rot. Bonds7

About 6-[(4-methyl-1,3-thiazole-5-carbonyl)amino]hexanoic acid

6-[(4-methyl-1,3-thiazole-5-carbonyl)amino]hexanoic acid (PubChem CID 18072622) has the molecular formula C11H16N2O3S and a molecular weight of 256.33 g/mol. Its IUPAC name is 6-[(4-methyl-1,3-thiazole-5-carbonyl)amino]hexanoic acid.

Molecular Properties

Compound Name6-[(4-methyl-1,3-thiazole-5-carbonyl)amino]hexanoic acid
PubChem CID18072622
Molecular FormulaC11H16N2O3S
Molecular Weight256.33 g/mol
Exact Mass256.09
IUPAC Name6-[(4-methyl-1,3-thiazole-5-carbonyl)amino]hexanoic acid
SMILESCc1ncsc1C(=O)NCCCCCC(=O)O
InChIInChI=1S/C11H16N2O3S/c1-8-10(17-7-13-8)11(16)12-6-4-2-3-5-9(14)15/h7H,2-6H2,1H3,(H,12,16)(H,14,15)
InChIKeyFNLWMDKUWMRIPI-UHFFFAOYSA-N
XLogP1.83
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 6-[(4-methyl-1,3-thiazole-5-carbonyl)amino]hexanoic acid?
The IUPAC name of 6-[(4-methyl-1,3-thiazole-5-carbonyl)amino]hexanoic acid (CID 18072622) is 6-[(4-methyl-1,3-thiazole-5-carbonyl)amino]hexanoic acid.
What is the SMILES notation for 6-[(4-methyl-1,3-thiazole-5-carbonyl)amino]hexanoic acid?
The canonical SMILES for 6-[(4-methyl-1,3-thiazole-5-carbonyl)amino]hexanoic acid is Cc1ncsc1C(=O)NCCCCCC(=O)O.
What is the InChIKey of 6-[(4-methyl-1,3-thiazole-5-carbonyl)amino]hexanoic acid?
The InChIKey is FNLWMDKUWMRIPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S/c1-8-10(17-7-13-8)11(16)12-6-4-2-3-5-9(14)15/h7H,2-6H2,1H3,(H,12,16)(H,14,15).
What are the key properties of 6-[(4-methyl-1,3-thiazole-5-carbonyl)amino]hexanoic acid?
6-[(4-methyl-1,3-thiazole-5-carbonyl)amino]hexanoic acid has a molecular weight of 256.33 g/mol, XLogP of 1.83, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-methyl-1,3-thiazole-5-carbonyl)amino]hexanoic acid is sourced from PubChem (CID 18072622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).