ethyl 2-[2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]-1,3-thiazol-4-yl]acetate

C15H19N3O4S — CID 18139425

IUPACethyl 2-[2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)CCc2c(C)noc2C)n1
InChIInChI=1S/C15H19N3O4S/c1-4-21-14(20)7-11-8-23-15(16-11)17-13(19)6-5-12-9(2)18-22-10(12)3/h8H,4-7H2,1-3H3,(H,16,17,19)
InChIKeyPZKLGCYIYJADJS-UHFFFAOYSA-N
MW337.40 g/mol
LogP2.42
Rot. Bonds7

About ethyl 2-[2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]-1,3-thiazol-4-yl]acetate

ethyl 2-[2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]-1,3-thiazol-4-yl]acetate (PubChem CID 18139425) has the molecular formula C15H19N3O4S and a molecular weight of 337.40 g/mol. Its IUPAC name is ethyl 2-[2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]-1,3-thiazol-4-yl]acetate
PubChem CID18139425
Molecular FormulaC15H19N3O4S
Molecular Weight337.40 g/mol
Exact Mass337.11
IUPAC Nameethyl 2-[2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)CCc2c(C)noc2C)n1
InChIInChI=1S/C15H19N3O4S/c1-4-21-14(20)7-11-8-23-15(16-11)17-13(19)6-5-12-9(2)18-22-10(12)3/h8H,4-7H2,1-3H3,(H,16,17,19)
InChIKeyPZKLGCYIYJADJS-UHFFFAOYSA-N
XLogP2.42
TPSA94.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 2-[2-(3-aminopropanoylamino)-1,3-thiazol-4-yl]acetate
CID 110460282
ethyl 2-[2-[3-(4-chlorophenyl)propanoylamino]-1,3-thiazol-4-yl]acetate
CID 19220870
ethyl 2-[2-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]benzoyl]amino]-1,3-thiazol-4-yl]acetate
CID 29283607
ethyl 2-[2-(3-propoxypropanoylamino)-1,3-thiazol-4-yl]acetate
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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-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]-1,3-thiazol-4-yl]acetate
CID 18209830
ethyl 2-[2-(3-pyrrolidin-1-ylpropanoylamino)-1,3-thiazol-4-yl]acetate
CID 101012113
ethyl 2-[2-[3-(3-methoxyphenyl)propanoylamino]-1,3-thiazol-4-yl]acetate
CID 24620243
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
ethyl 2-[2-[[2-(4-chlorophenyl)acetyl]amino]-1,3-thiazol-4-yl]acetate
CID 3826746

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]-1,3-thiazol-4-yl]acetate (CID 18139425) is ethyl 2-[2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(NC(=O)CCc2c(C)noc2C)n1.
What is the InChIKey of ethyl 2-[2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]-1,3-thiazol-4-yl]acetate?
The InChIKey is PZKLGCYIYJADJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O4S/c1-4-21-14(20)7-11-8-23-15(16-11)17-13(19)6-5-12-9(2)18-22-10(12)3/h8H,4-7H2,1-3H3,(H,16,17,19).
What are the key properties of ethyl 2-[2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]-1,3-thiazol-4-yl]acetate has a molecular weight of 337.40 g/mol, XLogP of 2.42, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 18139425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).