[2-(methylcarbamoyloxymethyl)-1,3-thiazol-4-yl]methyl N-methylcarbamate

C9H13N3O4S — CID 154352464

IUPAC[2-(methylcarbamoyloxymethyl)-1,3-thiazol-4-yl]methyl N-methylcarbamate
SMILESCNC(=O)OCc1csc(COC(=O)NC)n1
InChIInChI=1S/C9H13N3O4S/c1-10-8(13)15-3-6-5-17-7(12-6)4-16-9(14)11-2/h5H,3-4H2,1-2H3,(H,10,13)(H,11,14)
InChIKeyVKEGJAGSUHLDTR-UHFFFAOYSA-N
MW259.29 g/mol
LogP0.86
Rot. Bonds4

About [2-(methylcarbamoyloxymethyl)-1,3-thiazol-4-yl]methyl N-methylcarbamate

[2-(methylcarbamoyloxymethyl)-1,3-thiazol-4-yl]methyl N-methylcarbamate (PubChem CID 154352464) has the molecular formula C9H13N3O4S and a molecular weight of 259.29 g/mol. Its IUPAC name is [2-(methylcarbamoyloxymethyl)-1,3-thiazol-4-yl]methyl N-methylcarbamate.

Molecular Properties

Compound Name[2-(methylcarbamoyloxymethyl)-1,3-thiazol-4-yl]methyl N-methylcarbamate
PubChem CID154352464
Molecular FormulaC9H13N3O4S
Molecular Weight259.29 g/mol
Exact Mass259.06
IUPAC Name[2-(methylcarbamoyloxymethyl)-1,3-thiazol-4-yl]methyl N-methylcarbamate
SMILESCNC(=O)OCc1csc(COC(=O)NC)n1
InChIInChI=1S/C9H13N3O4S/c1-10-8(13)15-3-6-5-17-7(12-6)4-16-9(14)11-2/h5H,3-4H2,1-2H3,(H,10,13)(H,11,14)
InChIKeyVKEGJAGSUHLDTR-UHFFFAOYSA-N
XLogP0.86
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.29
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[6-(methylcarbamoyloxymethyl)-2-pyridinyl]methyl N-methylcarbamate
CID 4990
hydron;[6-(methylcarbamoyloxymethyl)-2-pyridinyl]methyl N-methylcarbamate;chloride
CID 664418
(4-ethyl-1,3-thiazol-2-yl)methyl N,N-dimethylcarbamate
CID 144562162
(2-ethyl-1,3-thiazol-4-yl)methyl 3,3-dimethylbutanoate
CID 78842414
2-(4-ethyl-1,3-thiazol-2-yl)-N-methylacetamide
CID 131039339
N-methyl-4-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methoxy]benzamide
CID 51124164
tert-butyl N-[3-[2-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methoxycarbonylamino]ethyl]cyclobutyl]carbamate
CID 166392807
(2-ethyl-1,3-thiazol-4-yl)methyl hexanoate
CID 78842387
benzyl N-methylcarbamate;benzyl N-[(4-methyl-1,3-thiazol-2-yl)methyl]carbamate
CID 160848771
2-(2-ethyl-1,3-thiazol-4-yl)-N-methylacetamide
CID 130662599
2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-methylacetamide
CID 16768117
tert-butyl N-[[4-(aminomethyl)-1,3-thiazol-2-yl]methyl]carbamate
CID 83300651

Frequently Asked Questions

What is the IUPAC name of [2-(methylcarbamoyloxymethyl)-1,3-thiazol-4-yl]methyl N-methylcarbamate?
The IUPAC name of [2-(methylcarbamoyloxymethyl)-1,3-thiazol-4-yl]methyl N-methylcarbamate (CID 154352464) is [2-(methylcarbamoyloxymethyl)-1,3-thiazol-4-yl]methyl N-methylcarbamate.
What is the SMILES notation for [2-(methylcarbamoyloxymethyl)-1,3-thiazol-4-yl]methyl N-methylcarbamate?
The canonical SMILES for [2-(methylcarbamoyloxymethyl)-1,3-thiazol-4-yl]methyl N-methylcarbamate is CNC(=O)OCc1csc(COC(=O)NC)n1.
What is the InChIKey of [2-(methylcarbamoyloxymethyl)-1,3-thiazol-4-yl]methyl N-methylcarbamate?
The InChIKey is VKEGJAGSUHLDTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O4S/c1-10-8(13)15-3-6-5-17-7(12-6)4-16-9(14)11-2/h5H,3-4H2,1-2H3,(H,10,13)(H,11,14).
What are the key properties of [2-(methylcarbamoyloxymethyl)-1,3-thiazol-4-yl]methyl N-methylcarbamate?
[2-(methylcarbamoyloxymethyl)-1,3-thiazol-4-yl]methyl N-methylcarbamate has a molecular weight of 259.29 g/mol, XLogP of 0.86, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methylcarbamoyloxymethyl)-1,3-thiazol-4-yl]methyl N-methylcarbamate is sourced from PubChem (CID 154352464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).