6-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]hexanoic acid

C12H18N2O3S — CID 43352868

IUPAC6-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]hexanoic acid
SMILESCc1nc(CC(=O)NCCCCCC(=O)O)cs1
InChIInChI=1S/C12H18N2O3S/c1-9-14-10(8-18-9)7-11(15)13-6-4-2-3-5-12(16)17/h8H,2-7H2,1H3,(H,13,15)(H,16,17)
InChIKeyQFMSQUGKXJVCOO-UHFFFAOYSA-N
MW270.35 g/mol
LogP1.76
Rot. Bonds8

About 6-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]hexanoic acid

6-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]hexanoic acid (PubChem CID 43352868) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is 6-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]hexanoic acid.

Molecular Properties

Compound Name6-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]hexanoic acid
PubChem CID43352868
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Name6-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]hexanoic acid
SMILESCc1nc(CC(=O)NCCCCCC(=O)O)cs1
InChIInChI=1S/C12H18N2O3S/c1-9-14-10(8-18-9)7-11(15)13-6-4-2-3-5-12(16)17/h8H,2-7H2,1H3,(H,13,15)(H,16,17)
InChIKeyQFMSQUGKXJVCOO-UHFFFAOYSA-N
XLogP1.76
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]hexanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]hexanoic acid?
The IUPAC name of 6-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]hexanoic acid (CID 43352868) is 6-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]hexanoic acid.
What is the SMILES notation for 6-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]hexanoic acid?
The canonical SMILES for 6-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]hexanoic acid is Cc1nc(CC(=O)NCCCCCC(=O)O)cs1.
What is the InChIKey of 6-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]hexanoic acid?
The InChIKey is QFMSQUGKXJVCOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-9-14-10(8-18-9)7-11(15)13-6-4-2-3-5-12(16)17/h8H,2-7H2,1H3,(H,13,15)(H,16,17).
What are the key properties of 6-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]hexanoic acid?
6-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]hexanoic acid has a molecular weight of 270.35 g/mol, XLogP of 1.76, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]hexanoic acid is sourced from PubChem (CID 43352868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).