methyl 2-[(1-methoxy-3-methyl-1-oxobutan-2-yl)amino]-1,3-thiazole-4-carboxylate

C11H16N2O4S — CID 113306936

IUPACmethyl 2-[(1-methoxy-3-methyl-1-oxobutan-2-yl)amino]-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1csc(NC(C(=O)OC)C(C)C)n1
InChIInChI=1S/C11H16N2O4S/c1-6(2)8(10(15)17-4)13-11-12-7(5-18-11)9(14)16-3/h5-6,8H,1-4H3,(H,12,13)
InChIKeyMIDLFDZYLJMDBA-UHFFFAOYSA-N
MW272.33 g/mol
LogP1.54
Rot. Bonds5

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

methyl 2-[(1-methoxy-3-methyl-1-oxobutan-2-yl)amino]-1,3-thiazole-4-carboxylate (PubChem CID 113306936) has the molecular formula C11H16N2O4S and a molecular weight of 272.33 g/mol. Its IUPAC name is methyl 2-[(1-methoxy-3-methyl-1-oxobutan-2-yl)amino]-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(1-methoxy-3-methyl-1-oxobutan-2-yl)amino]-1,3-thiazole-4-carboxylate
PubChem CID113306936
Molecular FormulaC11H16N2O4S
Molecular Weight272.33 g/mol
Exact Mass272.08
IUPAC Namemethyl 2-[(1-methoxy-3-methyl-1-oxobutan-2-yl)amino]-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1csc(NC(C(=O)OC)C(C)C)n1
InChIInChI=1S/C11H16N2O4S/c1-6(2)8(10(15)17-4)13-11-12-7(5-18-11)9(14)16-3/h5-6,8H,1-4H3,(H,12,13)
InChIKeyMIDLFDZYLJMDBA-UHFFFAOYSA-N
XLogP1.54
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 2-[1-(4-chlorophenyl)ethylamino]-1,3-thiazole-4-carboxylate
CID 115423903
methyl 2-[1-(4-fluorophenyl)ethylamino]-1,3-thiazole-4-carboxylate
CID 113306846
methyl 2-(4-propan-2-yloxybutylamino)-1,3-thiazole-4-carboxylate
CID 106006432
methyl 2-(prop-2-enoylamino)-1,3-thiazole-4-carboxylate
CID 153387484
methyl 2-(1-thiophen-2-ylpropan-2-ylamino)-1,3-thiazole-4-carboxylate
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methyl 2-[(1S)-1-hydroxy-2-methylpropyl]-1,3-thiazole-4-carboxylate
CID 10998411
methyl 2-[(1R)-1-hydroxy-2-methylpropyl]-1,3-thiazole-4-carboxylate
CID 11378914
methyl 2-(4-propan-2-ylanilino)-1,3-thiazole-4-carboxylate
CID 113306613
methyl 3-methyl-2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]butanoate
CID 65268355
methyl 2-[(4-bromo-1,3-thiazol-2-yl)amino]propanoate
CID 79398752
methyl 2-(3,5-difluoroanilino)-1,3-thiazole-4-carboxylate
CID 115423273
methyl 2-[3-(2-methoxyethoxy)propylamino]-1,3-thiazole-4-carboxylate
CID 114098751

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(1-methoxy-3-methyl-1-oxobutan-2-yl)amino]-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 2-[(1-methoxy-3-methyl-1-oxobutan-2-yl)amino]-1,3-thiazole-4-carboxylate (CID 113306936) is methyl 2-[(1-methoxy-3-methyl-1-oxobutan-2-yl)amino]-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 2-[(1-methoxy-3-methyl-1-oxobutan-2-yl)amino]-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 2-[(1-methoxy-3-methyl-1-oxobutan-2-yl)amino]-1,3-thiazole-4-carboxylate is COC(=O)c1csc(NC(C(=O)OC)C(C)C)n1.
What is the InChIKey of methyl 2-[(1-methoxy-3-methyl-1-oxobutan-2-yl)amino]-1,3-thiazole-4-carboxylate?
The InChIKey is MIDLFDZYLJMDBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4S/c1-6(2)8(10(15)17-4)13-11-12-7(5-18-11)9(14)16-3/h5-6,8H,1-4H3,(H,12,13).
What are the key properties of methyl 2-[(1-methoxy-3-methyl-1-oxobutan-2-yl)amino]-1,3-thiazole-4-carboxylate?
methyl 2-[(1-methoxy-3-methyl-1-oxobutan-2-yl)amino]-1,3-thiazole-4-carboxylate has a molecular weight of 272.33 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(1-methoxy-3-methyl-1-oxobutan-2-yl)amino]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 113306936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).