methyl 2-[(2,2-dimethyloxan-4-yl)amino]-5-methyl-1,3-thiazole-4-carboxylate

C13H20N2O3S — CID 83039056

IUPACmethyl 2-[(2,2-dimethyloxan-4-yl)amino]-5-methyl-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1nc(NC2CCOC(C)(C)C2)sc1C
InChIInChI=1S/C13H20N2O3S/c1-8-10(11(16)17-4)15-12(19-8)14-9-5-6-18-13(2,3)7-9/h9H,5-7H2,1-4H3,(H,14,15)
InChIKeyJNZUABFJYZDOMM-UHFFFAOYSA-N
MW284.38 g/mol
LogP2.61
Rot. Bonds3

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

methyl 2-[(2,2-dimethyloxan-4-yl)amino]-5-methyl-1,3-thiazole-4-carboxylate (PubChem CID 83039056) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is methyl 2-[(2,2-dimethyloxan-4-yl)amino]-5-methyl-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(2,2-dimethyloxan-4-yl)amino]-5-methyl-1,3-thiazole-4-carboxylate
PubChem CID83039056
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Namemethyl 2-[(2,2-dimethyloxan-4-yl)amino]-5-methyl-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1nc(NC2CCOC(C)(C)C2)sc1C
InChIInChI=1S/C13H20N2O3S/c1-8-10(11(16)17-4)15-12(19-8)14-9-5-6-18-13(2,3)7-9/h9H,5-7H2,1-4H3,(H,14,15)
InChIKeyJNZUABFJYZDOMM-UHFFFAOYSA-N
XLogP2.61
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

methyl 5-methyl-2-(oxan-4-ylamino)-1,3-thiazole-4-carboxylate
CID 115423629
methyl 4-chloro-2-[(2,2-dimethyloxan-4-yl)amino]-1,3-thiazole-5-carboxylate
CID 113336621
methyl 5-methyl-2-[(2,2,3,3-tetramethylcyclopropyl)amino]-1,3-thiazole-4-carboxylate
CID 113307287
methyl 6-[(2,2-dimethyloxan-4-yl)amino]pyrazine-2-carboxylate
CID 83028949
methyl 2-(cyclopropylmethylamino)-5-methyl-1,3-thiazole-4-carboxylate
CID 115423035
methyl 5-methyl-2-[(1-methylcyclohexyl)amino]-1,3-thiazole-4-carboxylate
CID 113306887
methyl 5-acetyl-2-(cycloheptylamino)-1,3-thiazole-4-carboxylate
CID 106696946
3-amino-5-[(2,2-dimethyloxan-4-yl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 103383766
methyl 2-[(2-methoxy-2-oxoethyl)amino]-5-methyl-1,3-thiazole-4-carboxylate
CID 115423220
3-chloro-N-(2,2-dimethyloxan-4-yl)-5,6-dimethylpyrazin-2-amine
CID 83029129
1-[4-[(2,2-dimethyloxan-4-yl)amino]phenyl]ethanone
CID 114468372
methyl 5-methyl-2-[(1-methylpyrrolidin-3-yl)methylamino]-1,3-thiazole-4-carboxylate
CID 113306772

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2,2-dimethyloxan-4-yl)amino]-5-methyl-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 2-[(2,2-dimethyloxan-4-yl)amino]-5-methyl-1,3-thiazole-4-carboxylate (CID 83039056) is methyl 2-[(2,2-dimethyloxan-4-yl)amino]-5-methyl-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 2-[(2,2-dimethyloxan-4-yl)amino]-5-methyl-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 2-[(2,2-dimethyloxan-4-yl)amino]-5-methyl-1,3-thiazole-4-carboxylate is COC(=O)c1nc(NC2CCOC(C)(C)C2)sc1C.
What is the InChIKey of methyl 2-[(2,2-dimethyloxan-4-yl)amino]-5-methyl-1,3-thiazole-4-carboxylate?
The InChIKey is JNZUABFJYZDOMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-8-10(11(16)17-4)15-12(19-8)14-9-5-6-18-13(2,3)7-9/h9H,5-7H2,1-4H3,(H,14,15).
What are the key properties of methyl 2-[(2,2-dimethyloxan-4-yl)amino]-5-methyl-1,3-thiazole-4-carboxylate?
methyl 2-[(2,2-dimethyloxan-4-yl)amino]-5-methyl-1,3-thiazole-4-carboxylate has a molecular weight of 284.38 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2,2-dimethyloxan-4-yl)amino]-5-methyl-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 83039056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).