6-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanylhexanoic acid

C11H16N2O3S2 — CID 117098014

IUPAC6-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanylhexanoic acid
SMILESO=C(O)CCCCCSCC(=O)Nc1nccs1
InChIInChI=1S/C11H16N2O3S2/c14-9(13-11-12-5-7-18-11)8-17-6-3-1-2-4-10(15)16/h5,7H,1-4,6,8H2,(H,15,16)(H,12,13,14)
InChIKeyWUOSNPDUVMENBE-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.46
Rot. Bonds9

About 6-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanylhexanoic acid

6-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanylhexanoic acid (PubChem CID 117098014) has the molecular formula C11H16N2O3S2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 6-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanylhexanoic acid.

Molecular Properties

Compound Name6-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanylhexanoic acid
PubChem CID117098014
Molecular FormulaC11H16N2O3S2
Molecular Weight288.39 g/mol
Exact Mass288.06
IUPAC Name6-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanylhexanoic acid
SMILESO=C(O)CCCCCSCC(=O)Nc1nccs1
InChIInChI=1S/C11H16N2O3S2/c14-9(13-11-12-5-7-18-11)8-17-6-3-1-2-4-10(15)16/h5,7H,1-4,6,8H2,(H,15,16)(H,12,13,14)
InChIKeyWUOSNPDUVMENBE-UHFFFAOYSA-N
XLogP2.46
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanylhexanoic 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

N,N'-bis(1,3-thiazol-2-yl)decanediamide
CID 17080102
4-[[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]amino]butanoic acid
CID 43473463
5-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanylpentanoic acid
CID 117097930
4-[[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanylmethyl]benzoic acid
CID 94804434
4-oxo-4-[4-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanylanilino]butanoic acid
CID 22785097
2-(3-hydroxy-2-methylpropyl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide
CID 66104229
3-benzylsulfanyl-N-(1,3-thiazol-2-yl)propanamide
CID 6498108
2-(3-amino-2-methylpropyl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide
CID 66224258
methanamine;N-(1,3-thiazol-2-yl)hexanamide
CID 143608752
N-(4-ethylphenyl)-2-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanylacetamide
CID 1412173
4-amino-N-(1,3-thiazol-2-yl)butanamide;hydrochloride
CID 168719847
octanedioic acid;bis(1,3-thiazol-2-amine)
CID 139147698

Frequently Asked Questions

What is the IUPAC name of 6-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanylhexanoic acid?
The IUPAC name of 6-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanylhexanoic acid (CID 117098014) is 6-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanylhexanoic acid.
What is the SMILES notation for 6-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanylhexanoic acid?
The canonical SMILES for 6-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanylhexanoic acid is O=C(O)CCCCCSCC(=O)Nc1nccs1.
What is the InChIKey of 6-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanylhexanoic acid?
The InChIKey is WUOSNPDUVMENBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S2/c14-9(13-11-12-5-7-18-11)8-17-6-3-1-2-4-10(15)16/h5,7H,1-4,6,8H2,(H,15,16)(H,12,13,14).
What are the key properties of 6-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanylhexanoic acid?
6-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanylhexanoic acid has a molecular weight of 288.39 g/mol, XLogP of 2.46, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanylhexanoic acid is sourced from PubChem (CID 117098014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).