ethyl 2-[[3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-4-methyl-2-oxoimidazolidin-4-yl]amino]acetate

C14H23N5O3S — CID 70472657

IUPACethyl 2-[[3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-4-methyl-2-oxoimidazolidin-4-yl]amino]acetate
SMILESCCOC(=O)CNC1(C)CNC(=O)N1c1nnc(C(C)(C)C)s1
InChIInChI=1S/C14H23N5O3S/c1-6-22-9(20)7-16-14(5)8-15-11(21)19(14)12-18-17-10(23-12)13(2,3)4/h16H,6-8H2,1-5H3,(H,15,21)
InChIKeyAGULLOPJXJJDKS-UHFFFAOYSA-N
MW341.44 g/mol
LogP1.23
Rot. Bonds5

About ethyl 2-[[3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-4-methyl-2-oxoimidazolidin-4-yl]amino]acetate

ethyl 2-[[3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-4-methyl-2-oxoimidazolidin-4-yl]amino]acetate (PubChem CID 70472657) has the molecular formula C14H23N5O3S and a molecular weight of 341.44 g/mol. Its IUPAC name is ethyl 2-[[3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-4-methyl-2-oxoimidazolidin-4-yl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-4-methyl-2-oxoimidazolidin-4-yl]amino]acetate
PubChem CID70472657
Molecular FormulaC14H23N5O3S
Molecular Weight341.44 g/mol
Exact Mass341.15
IUPAC Nameethyl 2-[[3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-4-methyl-2-oxoimidazolidin-4-yl]amino]acetate
SMILESCCOC(=O)CNC1(C)CNC(=O)N1c1nnc(C(C)(C)C)s1
InChIInChI=1S/C14H23N5O3S/c1-6-22-9(20)7-16-14(5)8-15-11(21)19(14)12-18-17-10(23-12)13(2,3)4/h16H,6-8H2,1-5H3,(H,15,21)
InChIKeyAGULLOPJXJJDKS-UHFFFAOYSA-N
XLogP1.23
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-4-methyl-2-oxoimidazolidin-4-yl]amino]acetate?
The IUPAC name of ethyl 2-[[3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-4-methyl-2-oxoimidazolidin-4-yl]amino]acetate (CID 70472657) is ethyl 2-[[3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-4-methyl-2-oxoimidazolidin-4-yl]amino]acetate.
What is the SMILES notation for ethyl 2-[[3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-4-methyl-2-oxoimidazolidin-4-yl]amino]acetate?
The canonical SMILES for ethyl 2-[[3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-4-methyl-2-oxoimidazolidin-4-yl]amino]acetate is CCOC(=O)CNC1(C)CNC(=O)N1c1nnc(C(C)(C)C)s1.
What is the InChIKey of ethyl 2-[[3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-4-methyl-2-oxoimidazolidin-4-yl]amino]acetate?
The InChIKey is AGULLOPJXJJDKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O3S/c1-6-22-9(20)7-16-14(5)8-15-11(21)19(14)12-18-17-10(23-12)13(2,3)4/h16H,6-8H2,1-5H3,(H,15,21).
What are the key properties of ethyl 2-[[3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-4-methyl-2-oxoimidazolidin-4-yl]amino]acetate?
ethyl 2-[[3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-4-methyl-2-oxoimidazolidin-4-yl]amino]acetate has a molecular weight of 341.44 g/mol, XLogP of 1.23, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-4-methyl-2-oxoimidazolidin-4-yl]amino]acetate is sourced from PubChem (CID 70472657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).