ethyl 4-methyl-2-[2-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]sulfanyl-1,3-thiazole-5-carboxylate

C15H23NO4S2 — CID 59759363

IUPACethyl 4-methyl-2-[2-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]sulfanyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(SC(C)(C)C(=O)OC(C)(C)C)nc1C
InChIInChI=1S/C15H23NO4S2/c1-8-19-11(17)10-9(2)16-13(21-10)22-15(6,7)12(18)20-14(3,4)5/h8H2,1-7H3
InChIKeyHQXQMCUXZMPQHL-UHFFFAOYSA-N
MW345.49 g/mol
LogP3.84
Rot. Bonds5

About ethyl 4-methyl-2-[2-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]sulfanyl-1,3-thiazole-5-carboxylate

ethyl 4-methyl-2-[2-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]sulfanyl-1,3-thiazole-5-carboxylate (PubChem CID 59759363) has the molecular formula C15H23NO4S2 and a molecular weight of 345.49 g/mol. Its IUPAC name is ethyl 4-methyl-2-[2-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]sulfanyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-methyl-2-[2-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]sulfanyl-1,3-thiazole-5-carboxylate
PubChem CID59759363
Molecular FormulaC15H23NO4S2
Molecular Weight345.49 g/mol
Exact Mass345.11
IUPAC Nameethyl 4-methyl-2-[2-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]sulfanyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(SC(C)(C)C(=O)OC(C)(C)C)nc1C
InChIInChI=1S/C15H23NO4S2/c1-8-19-11(17)10-9(2)16-13(21-10)22-15(6,7)12(18)20-14(3,4)5/h8H2,1-7H3
InChIKeyHQXQMCUXZMPQHL-UHFFFAOYSA-N
XLogP3.84
TPSA65.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze ethyl 4-methyl-2-[2-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]sulfanyl-1,3-thiazole-5-carboxylate with MolForge

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Related Compounds

tert-butyl 2-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]sulfanyl]-2-methylpropanoate
CID 59759218
ethyl 2-[(5-ethoxycarbonyl-4-methyl-1,3-thiazol-2-yl)methyl]-4-methyl-1,3-thiazole-5-carboxylate
CID 15642023
tert-butyl 2-methyl-2-[[5-methyl-4-(2-methylsulfonyloxyethyl)-1,3-thiazol-2-yl]sulfanyl]propanoate
CID 59759200
tert-butyl 2-(aminomethyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 63628843
ethyl 4-methyl-2-propyl-1,3-thiazole-5-carboxylate
CID 70144784
ethyl 4-methyl-2-(3-oxoprop-1-enyl)-1,3-thiazole-5-carboxylate
CID 169459614
tert-butyl 2-amino-2,2-diethoxyacetate
CID 87520437
ethyl 2-(ethoxycarbonylamino)-4-methyl-1,3-thiazole-5-carboxylate
CID 897799
ethyl 4-methyl-2-(3-methylbutan-2-yl)-1,3-thiazole-5-carboxylate
CID 142196617
ethyl 2-(1-aminoethyl)-4-methyl-1,3-thiazole-5-carboxylate;hydrochloride
CID 146082192
ethyl 2-(methanesulfonamido)-4-methyl-1,3-thiazole-5-carboxylate
CID 2989996
ethyl 2-(dimethylaminomethylideneamino)-4-methyl-1,3-thiazole-5-carboxylate
CID 2893977

Frequently Asked Questions

What is the IUPAC name of ethyl 4-methyl-2-[2-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]sulfanyl-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 4-methyl-2-[2-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]sulfanyl-1,3-thiazole-5-carboxylate (CID 59759363) is ethyl 4-methyl-2-[2-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]sulfanyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 4-methyl-2-[2-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]sulfanyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 4-methyl-2-[2-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]sulfanyl-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(SC(C)(C)C(=O)OC(C)(C)C)nc1C.
What is the InChIKey of ethyl 4-methyl-2-[2-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]sulfanyl-1,3-thiazole-5-carboxylate?
The InChIKey is HQXQMCUXZMPQHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4S2/c1-8-19-11(17)10-9(2)16-13(21-10)22-15(6,7)12(18)20-14(3,4)5/h8H2,1-7H3.
What are the key properties of ethyl 4-methyl-2-[2-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]sulfanyl-1,3-thiazole-5-carboxylate?
ethyl 4-methyl-2-[2-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]sulfanyl-1,3-thiazole-5-carboxylate has a molecular weight of 345.49 g/mol, XLogP of 3.84, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-methyl-2-[2-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]sulfanyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 59759363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).