methyl 2-[(4-methoxy-4-oxobutanoyl)amino]-4-methyl-1,3-thiazole-5-carboxylate

C11H14N2O5S — CID 108808756

IUPACmethyl 2-[(4-methoxy-4-oxobutanoyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
SMILESCOC(=O)CCC(=O)Nc1nc(C)c(C(=O)OC)s1
InChIInChI=1S/C11H14N2O5S/c1-6-9(10(16)18-3)19-11(12-6)13-7(14)4-5-8(15)17-2/h4-5H2,1-3H3,(H,12,13,14)
InChIKeyBDYKJJWQUSQSML-UHFFFAOYSA-N
MW286.31 g/mol
LogP1.13
Rot. Bonds5

About methyl 2-[(4-methoxy-4-oxobutanoyl)amino]-4-methyl-1,3-thiazole-5-carboxylate

methyl 2-[(4-methoxy-4-oxobutanoyl)amino]-4-methyl-1,3-thiazole-5-carboxylate (PubChem CID 108808756) has the molecular formula C11H14N2O5S and a molecular weight of 286.31 g/mol. Its IUPAC name is methyl 2-[(4-methoxy-4-oxobutanoyl)amino]-4-methyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(4-methoxy-4-oxobutanoyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
PubChem CID108808756
Molecular FormulaC11H14N2O5S
Molecular Weight286.31 g/mol
Exact Mass286.06
IUPAC Namemethyl 2-[(4-methoxy-4-oxobutanoyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
SMILESCOC(=O)CCC(=O)Nc1nc(C)c(C(=O)OC)s1
InChIInChI=1S/C11H14N2O5S/c1-6-9(10(16)18-3)19-11(12-6)13-7(14)4-5-8(15)17-2/h4-5H2,1-3H3,(H,12,13,14)
InChIKeyBDYKJJWQUSQSML-UHFFFAOYSA-N
XLogP1.13
TPSA94.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 2-[(4-methoxy-4-oxobutanoyl)amino]-4-methyl-1,3-thiazole-5-carboxylate with MolForge

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Related Compounds

methyl 4-methyl-2-(pentanoylamino)-1,3-thiazole-5-carboxylate
CID 5058750
methyl 2-(4-methoxybutanoylamino)-4-methyl-1,3-thiazole-5-carboxylate
CID 55756724
methyl 4-methyl-2-(octanoylamino)-1,3-thiazole-5-carboxylate
CID 3466631
methyl 4-methyl-2-[(4-oxo-4-thiophen-2-ylbutanoyl)amino]-1,3-thiazole-5-carboxylate
CID 108807732
methyl 2-[(3-amino-3-sulfanylidenepropanoyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 82154875
methyl 4-methyl-2-(4-phenylbutanoylamino)-1,3-thiazole-5-carboxylate
CID 17218045
methyl 4-methyl-2-[[4-oxo-4-(pyridin-2-ylmethylamino)butanoyl]amino]-1,3-thiazole-5-carboxylate
CID 75465416
methyl 2-[3-(4-chlorophenoxy)propanoylamino]-4-methyl-1,3-thiazole-5-carboxylate
CID 108802948
methyl 2-[[2-(4-chlorophenyl)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 3582528
methyl 2-[[2-(cyanomethylsulfanyl)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 82531751
4-[(4-methyl-5-prop-2-enoxycarbonyl-1,3-thiazol-2-yl)amino]-4-oxobutanoic acid
CID 39187263
methyl 4-methyl-2-[(2-phenoxyacetyl)amino]-1,3-thiazole-5-carboxylate
CID 647925

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-methoxy-4-oxobutanoyl)amino]-4-methyl-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 2-[(4-methoxy-4-oxobutanoyl)amino]-4-methyl-1,3-thiazole-5-carboxylate (CID 108808756) is methyl 2-[(4-methoxy-4-oxobutanoyl)amino]-4-methyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 2-[(4-methoxy-4-oxobutanoyl)amino]-4-methyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 2-[(4-methoxy-4-oxobutanoyl)amino]-4-methyl-1,3-thiazole-5-carboxylate is COC(=O)CCC(=O)Nc1nc(C)c(C(=O)OC)s1.
What is the InChIKey of methyl 2-[(4-methoxy-4-oxobutanoyl)amino]-4-methyl-1,3-thiazole-5-carboxylate?
The InChIKey is BDYKJJWQUSQSML-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O5S/c1-6-9(10(16)18-3)19-11(12-6)13-7(14)4-5-8(15)17-2/h4-5H2,1-3H3,(H,12,13,14).
What are the key properties of methyl 2-[(4-methoxy-4-oxobutanoyl)amino]-4-methyl-1,3-thiazole-5-carboxylate?
methyl 2-[(4-methoxy-4-oxobutanoyl)amino]-4-methyl-1,3-thiazole-5-carboxylate has a molecular weight of 286.31 g/mol, XLogP of 1.13, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-methoxy-4-oxobutanoyl)amino]-4-methyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 108808756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).