methyl 5-methyl-2-(oxan-4-ylamino)-1,3-thiazole-4-carboxylate

C11H16N2O3S — CID 115423629

IUPACmethyl 5-methyl-2-(oxan-4-ylamino)-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1nc(NC2CCOCC2)sc1C
InChIInChI=1S/C11H16N2O3S/c1-7-9(10(14)15-2)13-11(17-7)12-8-3-5-16-6-4-8/h8H,3-6H2,1-2H3,(H,12,13)
InChIKeyAIRGKUKHQVTPOE-UHFFFAOYSA-N
MW256.33 g/mol
LogP1.83
Rot. Bonds3

About methyl 5-methyl-2-(oxan-4-ylamino)-1,3-thiazole-4-carboxylate

methyl 5-methyl-2-(oxan-4-ylamino)-1,3-thiazole-4-carboxylate (PubChem CID 115423629) has the molecular formula C11H16N2O3S and a molecular weight of 256.33 g/mol. Its IUPAC name is methyl 5-methyl-2-(oxan-4-ylamino)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-methyl-2-(oxan-4-ylamino)-1,3-thiazole-4-carboxylate
PubChem CID115423629
Molecular FormulaC11H16N2O3S
Molecular Weight256.33 g/mol
Exact Mass256.09
IUPAC Namemethyl 5-methyl-2-(oxan-4-ylamino)-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1nc(NC2CCOCC2)sc1C
InChIInChI=1S/C11H16N2O3S/c1-7-9(10(14)15-2)13-11(17-7)12-8-3-5-16-6-4-8/h8H,3-6H2,1-2H3,(H,12,13)
InChIKeyAIRGKUKHQVTPOE-UHFFFAOYSA-N
XLogP1.83
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-[(2,2-dimethyloxan-4-yl)amino]-5-methyl-1,3-thiazole-4-carboxylate
CID 83039056
methyl 5-methyl-2-[(2,2,3,3-tetramethylcyclopropyl)amino]-1,3-thiazole-4-carboxylate
CID 113307287
methyl 2-(cyclopropylmethylamino)-5-methyl-1,3-thiazole-4-carboxylate
CID 115423035
methyl 5-acetyl-2-(cycloheptylamino)-1,3-thiazole-4-carboxylate
CID 106696946
methyl 2-bromo-5-(oxan-4-yl)-1,3-thiazole-4-carboxylate
CID 106510295
methyl 2-[(2-methoxy-2-oxoethyl)amino]-5-methyl-1,3-thiazole-4-carboxylate
CID 115423220
methyl 5-methyl-2-[(1-methylpyrrolidin-3-yl)methylamino]-1,3-thiazole-4-carboxylate
CID 113306772
methyl 2-(3-ethylpentan-3-ylamino)-5-methyl-1,3-thiazole-4-carboxylate
CID 113307209
methyl 5-methyl-2-[(1-methylcyclohexyl)amino]-1,3-thiazole-4-carboxylate
CID 113306887
ethyl 2-[(1,2-dimethylpiperidin-4-yl)amino]-5-methyl-1,3-thiazole-4-carboxylate
CID 116527037
methyl 2-(2,6-dibromo-4-methylanilino)-5-methyl-1,3-thiazole-4-carboxylate
CID 115422975
methyl 5-methyl-2-(3-methylpentan-3-ylamino)-1,3-thiazole-4-carboxylate
CID 106331938

Frequently Asked Questions

What is the IUPAC name of methyl 5-methyl-2-(oxan-4-ylamino)-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 5-methyl-2-(oxan-4-ylamino)-1,3-thiazole-4-carboxylate (CID 115423629) is methyl 5-methyl-2-(oxan-4-ylamino)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 5-methyl-2-(oxan-4-ylamino)-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 5-methyl-2-(oxan-4-ylamino)-1,3-thiazole-4-carboxylate is COC(=O)c1nc(NC2CCOCC2)sc1C.
What is the InChIKey of methyl 5-methyl-2-(oxan-4-ylamino)-1,3-thiazole-4-carboxylate?
The InChIKey is AIRGKUKHQVTPOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S/c1-7-9(10(14)15-2)13-11(17-7)12-8-3-5-16-6-4-8/h8H,3-6H2,1-2H3,(H,12,13).
What are the key properties of methyl 5-methyl-2-(oxan-4-ylamino)-1,3-thiazole-4-carboxylate?
methyl 5-methyl-2-(oxan-4-ylamino)-1,3-thiazole-4-carboxylate has a molecular weight of 256.33 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-methyl-2-(oxan-4-ylamino)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 115423629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).