ethyl 4-oxo-4-[[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-pentylamino]butanoate

C16H25N3O4S — CID 3700860

IUPACethyl 4-oxo-4-[[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-pentylamino]butanoate
SMILESCCCCCN(CC(=O)Nc1nccs1)C(=O)CCC(=O)OCC
InChIInChI=1S/C16H25N3O4S/c1-3-5-6-10-19(14(21)7-8-15(22)23-4-2)12-13(20)18-16-17-9-11-24-16/h9,11H,3-8,10,12H2,1-2H3,(H,17,18,20)
InChIKeyZOGQNMSBOSNPJB-UHFFFAOYSA-N
MW355.46 g/mol
LogP2.44
Rot. Bonds11

About ethyl 4-oxo-4-[[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-pentylamino]butanoate

ethyl 4-oxo-4-[[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-pentylamino]butanoate (PubChem CID 3700860) has the molecular formula C16H25N3O4S and a molecular weight of 355.46 g/mol. Its IUPAC name is ethyl 4-oxo-4-[[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-pentylamino]butanoate.

Molecular Properties

Compound Nameethyl 4-oxo-4-[[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-pentylamino]butanoate
PubChem CID3700860
Molecular FormulaC16H25N3O4S
Molecular Weight355.46 g/mol
Exact Mass355.16
IUPAC Nameethyl 4-oxo-4-[[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-pentylamino]butanoate
SMILESCCCCCN(CC(=O)Nc1nccs1)C(=O)CCC(=O)OCC
InChIInChI=1S/C16H25N3O4S/c1-3-5-6-10-19(14(21)7-8-15(22)23-4-2)12-13(20)18-16-17-9-11-24-16/h9,11H,3-8,10,12H2,1-2H3,(H,17,18,20)
InChIKeyZOGQNMSBOSNPJB-UHFFFAOYSA-N
XLogP2.44
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-N-pentyldecanamide
CID 42664145
N-(3-ethoxypropyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]octanamide
CID 5169244
N-[2-(dimethylamino)ethyl]-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]tetradecanamide
CID 3557830
N-hexyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-2-thiophen-2-ylacetamide
CID 5085333
N-hexyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]thiophene-2-carboxamide
CID 5046659
methanamine;N-(1,3-thiazol-2-yl)hexanamide
CID 143608752
N-(2-morpholin-4-ylethyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]nonanamide
CID 4068648
3-cyclopentyl-N-(3-ethoxypropyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]propanamide
CID 42771464
2,4-dimethoxy-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-N-pentylbenzamide
CID 4151032
ethyl 2-[cyclopropyl-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]amino]acetate
CID 47395347
N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-pentyldodecanamide
CID 42769910
ethyl 2-[[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-prop-2-enylamino]acetate
CID 78977684

Frequently Asked Questions

What is the IUPAC name of ethyl 4-oxo-4-[[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-pentylamino]butanoate?
The IUPAC name of ethyl 4-oxo-4-[[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-pentylamino]butanoate (CID 3700860) is ethyl 4-oxo-4-[[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-pentylamino]butanoate.
What is the SMILES notation for ethyl 4-oxo-4-[[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-pentylamino]butanoate?
The canonical SMILES for ethyl 4-oxo-4-[[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-pentylamino]butanoate is CCCCCN(CC(=O)Nc1nccs1)C(=O)CCC(=O)OCC.
What is the InChIKey of ethyl 4-oxo-4-[[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-pentylamino]butanoate?
The InChIKey is ZOGQNMSBOSNPJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O4S/c1-3-5-6-10-19(14(21)7-8-15(22)23-4-2)12-13(20)18-16-17-9-11-24-16/h9,11H,3-8,10,12H2,1-2H3,(H,17,18,20).
What are the key properties of ethyl 4-oxo-4-[[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-pentylamino]butanoate?
ethyl 4-oxo-4-[[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-pentylamino]butanoate has a molecular weight of 355.46 g/mol, XLogP of 2.44, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-oxo-4-[[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-pentylamino]butanoate is sourced from PubChem (CID 3700860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).