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

C14H22N2O4S — CID 43352932

IUPAC6-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoylamino]hexanoic acid
SMILESCc1csc(=O)n1CCCC(=O)NCCCCCC(=O)O
InChIInChI=1S/C14H22N2O4S/c1-11-10-21-14(20)16(11)9-5-6-12(17)15-8-4-2-3-7-13(18)19/h10H,2-9H2,1H3,(H,15,17)(H,18,19)
InChIKeyWAYPAYKLJZWBES-UHFFFAOYSA-N
MW314.41 g/mol
LogP1.76
Rot. Bonds10

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

6-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoylamino]hexanoic acid (PubChem CID 43352932) has the molecular formula C14H22N2O4S and a molecular weight of 314.41 g/mol. Its IUPAC name is 6-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoylamino]hexanoic acid.

Molecular Properties

Compound Name6-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoylamino]hexanoic acid
PubChem CID43352932
Molecular FormulaC14H22N2O4S
Molecular Weight314.41 g/mol
Exact Mass314.13
IUPAC Name6-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoylamino]hexanoic acid
SMILESCc1csc(=O)n1CCCC(=O)NCCCCCC(=O)O
InChIInChI=1S/C14H22N2O4S/c1-11-10-21-14(20)16(11)9-5-6-12(17)15-8-4-2-3-7-13(18)19/h10H,2-9H2,1H3,(H,15,17)(H,18,19)
InChIKeyWAYPAYKLJZWBES-UHFFFAOYSA-N
XLogP1.76
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoylamino]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

Related Compounds

Methyl 6-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]hexanoate
CID 31840141
7-[[2-(4-Methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]heptanoic acid
CID 43172060
1-[4-(4-Methyl-2-oxo-1,3-thiazol-3-yl)butanoylamino]cyclopentane-1-carboxylic acid
CID 43351049
6-[[2-(4-Methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]hexanoic acid
CID 43352937
3-[4-(4-Methyl-2-oxo-1,3-thiazol-3-yl)butanoylamino]propanoic acid
CID 43354844
4-[4-(4-Methyl-2-oxo-1,3-thiazol-3-yl)butanoylamino]butanoic acid
CID 43355099
3-[4-(4-Methyl-2-oxo-1,3-thiazol-3-yl)butanoylamino]butanoic acid
CID 43360927
2-[4-(4-Methyl-2-oxo-1,3-thiazol-3-yl)butanoylamino]hexanoic acid
CID 43469769
2-[[2-(4-Methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]hexanoic acid
CID 43469777
2-[4-(4-Methyl-2-oxo-1,3-thiazol-3-yl)butanoylamino]pentanoic acid
CID 43630966
2-[1-[4-(4-Methyl-2-oxo-1,3-thiazol-3-yl)butanoyl]pyrrolidin-2-yl]acetic acid
CID 61370870
4-Methyl-4-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoylamino]pentanoic acid
CID 62041582

Frequently Asked Questions

What is the IUPAC name of 6-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoylamino]hexanoic acid?
The IUPAC name of 6-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoylamino]hexanoic acid (CID 43352932) is 6-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoylamino]hexanoic acid.
What is the SMILES notation for 6-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoylamino]hexanoic acid?
The canonical SMILES for 6-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoylamino]hexanoic acid is Cc1csc(=O)n1CCCC(=O)NCCCCCC(=O)O.
What is the InChIKey of 6-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoylamino]hexanoic acid?
The InChIKey is WAYPAYKLJZWBES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4S/c1-11-10-21-14(20)16(11)9-5-6-12(17)15-8-4-2-3-7-13(18)19/h10H,2-9H2,1H3,(H,15,17)(H,18,19).
What are the key properties of 6-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoylamino]hexanoic acid?
6-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoylamino]hexanoic acid has a molecular weight of 314.41 g/mol, XLogP of 1.76, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoylamino]hexanoic acid is sourced from PubChem (CID 43352932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).