ethyl 2-[2-(3-propoxypropanoylamino)-1,3-thiazol-4-yl]acetate

C13H20N2O4S — CID 62715817

IUPACethyl 2-[2-(3-propoxypropanoylamino)-1,3-thiazol-4-yl]acetate
SMILESCCCOCCC(=O)Nc1nc(CC(=O)OCC)cs1
InChIInChI=1S/C13H20N2O4S/c1-3-6-18-7-5-11(16)15-13-14-10(9-20-13)8-12(17)19-4-2/h9H,3-8H2,1-2H3,(H,14,15,16)
InChIKeyYFHIXYMLMXJAEI-UHFFFAOYSA-N
MW300.38 g/mol
LogP2.00
Rot. Bonds9

About ethyl 2-[2-(3-propoxypropanoylamino)-1,3-thiazol-4-yl]acetate

ethyl 2-[2-(3-propoxypropanoylamino)-1,3-thiazol-4-yl]acetate (PubChem CID 62715817) has the molecular formula C13H20N2O4S and a molecular weight of 300.38 g/mol. Its IUPAC name is ethyl 2-[2-(3-propoxypropanoylamino)-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-(3-propoxypropanoylamino)-1,3-thiazol-4-yl]acetate
PubChem CID62715817
Molecular FormulaC13H20N2O4S
Molecular Weight300.38 g/mol
Exact Mass300.11
IUPAC Nameethyl 2-[2-(3-propoxypropanoylamino)-1,3-thiazol-4-yl]acetate
SMILESCCCOCCC(=O)Nc1nc(CC(=O)OCC)cs1
InChIInChI=1S/C13H20N2O4S/c1-3-6-18-7-5-11(16)15-13-14-10(9-20-13)8-12(17)19-4-2/h9H,3-8H2,1-2H3,(H,14,15,16)
InChIKeyYFHIXYMLMXJAEI-UHFFFAOYSA-N
XLogP2.00
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 52.00
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

methyl 2-[2-(3-propoxypropanoylamino)-1,3-thiazol-4-yl]acetate
CID 62715992
ethyl 2-[2-(3-aminopropanoylamino)-1,3-thiazol-4-yl]acetate
CID 110460282
ethyl 2-[2-(3-propoxypropylamino)-1,3-thiazol-4-yl]acetate
CID 82947003
ethyl 2-[2-(pent-4-enoylamino)-1,3-thiazol-4-yl]acetate
CID 51106392
ethyl 2-(2-acetamido-1,3-thiazol-4-yl)acetate
CID 3477732
ethyl 2-[2-(3-pyrrolidin-1-ylpropanoylamino)-1,3-thiazol-4-yl]acetate
CID 101012113
ethyl 2-[2-[[2-(2-propoxyphenoxy)acetyl]amino]-1,3-thiazol-4-yl]acetate
CID 18129539
ethyl 2-[2-[(4-amino-3-methoxybutanoyl)amino]-1,3-thiazol-4-yl]acetate;hydrochloride
CID 120586454
ethyl 2-[2-[3-(4-chlorophenyl)propanoylamino]-1,3-thiazol-4-yl]acetate
CID 19220870
methyl 2-[2-(3-methoxypropanoylamino)-1,3-thiazol-4-yl]acetate
CID 62589885
ethyl 2-[2-(carbamothioylamino)-1,3-thiazol-4-yl]acetate
CID 16637409
ethyl 2-[2-[[2-(4-aminophenyl)acetyl]amino]-1,3-thiazol-4-yl]acetate
CID 110451962

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(3-propoxypropanoylamino)-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-(3-propoxypropanoylamino)-1,3-thiazol-4-yl]acetate (CID 62715817) is ethyl 2-[2-(3-propoxypropanoylamino)-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-(3-propoxypropanoylamino)-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-(3-propoxypropanoylamino)-1,3-thiazol-4-yl]acetate is CCCOCCC(=O)Nc1nc(CC(=O)OCC)cs1.
What is the InChIKey of ethyl 2-[2-(3-propoxypropanoylamino)-1,3-thiazol-4-yl]acetate?
The InChIKey is YFHIXYMLMXJAEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4S/c1-3-6-18-7-5-11(16)15-13-14-10(9-20-13)8-12(17)19-4-2/h9H,3-8H2,1-2H3,(H,14,15,16).
What are the key properties of ethyl 2-[2-(3-propoxypropanoylamino)-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-(3-propoxypropanoylamino)-1,3-thiazol-4-yl]acetate has a molecular weight of 300.38 g/mol, XLogP of 2.00, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(3-propoxypropanoylamino)-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 62715817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).