methyl 4-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]oxane-4-carboxylate

C13H20N2O3S — CID 75504129

IUPACmethyl 4-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]oxane-4-carboxylate
SMILESCOC(=O)C1(CNCc2csc(C)n2)CCOCC1
InChIInChI=1S/C13H20N2O3S/c1-10-15-11(8-19-10)7-14-9-13(12(16)17-2)3-5-18-6-4-13/h8,14H,3-7,9H2,1-2H3
InChIKeyGFOSLVKNFHFKAV-UHFFFAOYSA-N
MW284.38 g/mol
LogP1.51
Rot. Bonds5

About methyl 4-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]oxane-4-carboxylate

methyl 4-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]oxane-4-carboxylate (PubChem CID 75504129) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is methyl 4-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]oxane-4-carboxylate.

Molecular Properties

Compound Namemethyl 4-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]oxane-4-carboxylate
PubChem CID75504129
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Namemethyl 4-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]oxane-4-carboxylate
SMILESCOC(=O)C1(CNCc2csc(C)n2)CCOCC1
InChIInChI=1S/C13H20N2O3S/c1-10-15-11(8-19-10)7-14-9-13(12(16)17-2)3-5-18-6-4-13/h8,14H,3-7,9H2,1-2H3
InChIKeyGFOSLVKNFHFKAV-UHFFFAOYSA-N
XLogP1.51
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 4-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]oxane-4-carboxylate with MolForge

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Related Compounds

1-[4-(aminomethyl)oxan-4-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 116603189
methyl 4-[(pyridin-3-ylmethylamino)methyl]oxane-4-carboxylate
CID 86788957
4-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]oxan-4-amine
CID 115757938
1-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]cyclobutan-1-ol
CID 115621582
methyl 4-[(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethylamino)methyl]oxane-4-carboxylate
CID 86788961
2-methyl-3-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]oxolan-3-ol
CID 107268247
N-[(4-methoxypiperidin-4-yl)methyl]-1-(2-methyl-1,3-thiazol-4-yl)methanamine
CID 114284448
N-[[2-(4-ethoxyoxan-4-yl)-1,3-thiazol-4-yl]methyl]ethanamine
CID 116774727
N-[[1-(aminomethyl)cyclopentyl]methyl]-1-(2-methyl-1,3-thiazol-4-yl)methanamine
CID 115435527
N-[4-(hydroxymethyl)oxan-4-yl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 103954303
1-[[(2-methyl-1,3-thiazol-4-yl)methylcarbamoylamino]methyl]cyclohexane-1-carboxylic acid
CID 115436821
ethyl 2-[(2-methyl-1,3-thiazol-4-yl)methylamino]acetate
CID 60812256

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]oxane-4-carboxylate?
The IUPAC name of methyl 4-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]oxane-4-carboxylate (CID 75504129) is methyl 4-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]oxane-4-carboxylate.
What is the SMILES notation for methyl 4-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]oxane-4-carboxylate?
The canonical SMILES for methyl 4-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]oxane-4-carboxylate is COC(=O)C1(CNCc2csc(C)n2)CCOCC1.
What is the InChIKey of methyl 4-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]oxane-4-carboxylate?
The InChIKey is GFOSLVKNFHFKAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-10-15-11(8-19-10)7-14-9-13(12(16)17-2)3-5-18-6-4-13/h8,14H,3-7,9H2,1-2H3.
What are the key properties of methyl 4-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]oxane-4-carboxylate?
methyl 4-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]oxane-4-carboxylate has a molecular weight of 284.38 g/mol, XLogP of 1.51, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]oxane-4-carboxylate is sourced from PubChem (CID 75504129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).