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

C17H20N2O4S — CID 2948076

IUPACethyl 2-[2-(2-phenoxybutanoylamino)-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)C(CC)Oc2ccccc2)n1
InChIInChI=1S/C17H20N2O4S/c1-3-14(23-13-8-6-5-7-9-13)16(21)19-17-18-12(11-24-17)10-15(20)22-4-2/h5-9,11,14H,3-4,10H2,1-2H3,(H,18,19,21)
InChIKeyDROUZWUYAUSNSG-UHFFFAOYSA-N
MW348.42 g/mol
LogP3.04
Rot. Bonds8

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

ethyl 2-[2-(2-phenoxybutanoylamino)-1,3-thiazol-4-yl]acetate (PubChem CID 2948076) has the molecular formula C17H20N2O4S and a molecular weight of 348.42 g/mol. Its IUPAC name is ethyl 2-[2-(2-phenoxybutanoylamino)-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-(2-phenoxybutanoylamino)-1,3-thiazol-4-yl]acetate
PubChem CID2948076
Molecular FormulaC17H20N2O4S
Molecular Weight348.42 g/mol
Exact Mass348.11
IUPAC Nameethyl 2-[2-(2-phenoxybutanoylamino)-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)C(CC)Oc2ccccc2)n1
InChIInChI=1S/C17H20N2O4S/c1-3-14(23-13-8-6-5-7-9-13)16(21)19-17-18-12(11-24-17)10-15(20)22-4-2/h5-9,11,14H,3-4,10H2,1-2H3,(H,18,19,21)
InChIKeyDROUZWUYAUSNSG-UHFFFAOYSA-N
XLogP3.04
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-[2-(2-phenoxypropanoylamino)-1,3-thiazol-4-yl]acetate
CID 3145095
ethyl 2-[2-(2-phenylsulfanylpropanoylamino)-1,3-thiazol-4-yl]acetate
CID 23801603
ethyl 2-[2-[[(2S)-2-aminopropanoyl]amino]-1,3-thiazol-4-yl]acetate
CID 129010827
ethyl 2-[2-[(4-phenoxybenzoyl)amino]-1,3-thiazol-4-yl]acetate
CID 2466553
ethyl 2-[2-(2-aminopropanoylamino)-1,3-thiazol-4-yl]acetate;hydrochloride
CID 119262725
ethyl 2-[2-(2-benzylsulfanylpropanoylamino)-1,3-thiazol-4-yl]acetate
CID 23886497
ethyl 2-(2-acetamido-1,3-thiazol-4-yl)acetate
CID 3477732
ethyl 2-[2-(carbamothioylamino)-1,3-thiazol-4-yl]acetate
CID 16637409
(2S)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-2-phenoxybutanamide
CID 40538671
ethyl 2-[2-[2-(1,3-dioxoisoindol-2-yl)propanoylamino]-1,3-thiazol-4-yl]acetate
CID 3659980
ethyl 2-[2-[[(2S)-2-(1,3-dioxoisoindol-2-yl)propanoyl]amino]-1,3-thiazol-4-yl]acetate
CID 1180864
ethyl 2-[2-[[2-(2-fluorophenyl)acetyl]amino]-1,3-thiazol-4-yl]acetate
CID 51185483

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(2-phenoxybutanoylamino)-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-(2-phenoxybutanoylamino)-1,3-thiazol-4-yl]acetate (CID 2948076) is ethyl 2-[2-(2-phenoxybutanoylamino)-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-(2-phenoxybutanoylamino)-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-(2-phenoxybutanoylamino)-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(NC(=O)C(CC)Oc2ccccc2)n1.
What is the InChIKey of ethyl 2-[2-(2-phenoxybutanoylamino)-1,3-thiazol-4-yl]acetate?
The InChIKey is DROUZWUYAUSNSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4S/c1-3-14(23-13-8-6-5-7-9-13)16(21)19-17-18-12(11-24-17)10-15(20)22-4-2/h5-9,11,14H,3-4,10H2,1-2H3,(H,18,19,21).
What are the key properties of ethyl 2-[2-(2-phenoxybutanoylamino)-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-(2-phenoxybutanoylamino)-1,3-thiazol-4-yl]acetate has a molecular weight of 348.42 g/mol, XLogP of 3.04, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(2-phenoxybutanoylamino)-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 2948076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).