methyl 1,2-thiazol-3-yl carbonate

C5H5NO3S — CID 119096302

IUPACmethyl 1,2-thiazol-3-yl carbonate
SMILESCOC(=O)Oc1ccsn1
InChIInChI=1S/C5H5NO3S/c1-8-5(7)9-4-2-3-10-6-4/h2-3H,1H3
InChIKeyQWCHQYONLKIRIA-UHFFFAOYSA-N
MW159.17 g/mol
LogP1.29
Rot. Bonds1

About methyl 1,2-thiazol-3-yl carbonate

methyl 1,2-thiazol-3-yl carbonate (PubChem CID 119096302) has the molecular formula C5H5NO3S and a molecular weight of 159.17 g/mol. Its IUPAC name is methyl 1,2-thiazol-3-yl carbonate.

Molecular Properties

Compound Namemethyl 1,2-thiazol-3-yl carbonate
PubChem CID119096302
Molecular FormulaC5H5NO3S
Molecular Weight159.17 g/mol
Exact Mass159.00
IUPAC Namemethyl 1,2-thiazol-3-yl carbonate
SMILESCOC(=O)Oc1ccsn1
InChIInChI=1S/C5H5NO3S/c1-8-5(7)9-4-2-3-10-6-4/h2-3H,1H3
InChIKeyQWCHQYONLKIRIA-UHFFFAOYSA-N
XLogP1.29
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.17
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 1,2-thiazol-3-yl carbonate?
The IUPAC name of methyl 1,2-thiazol-3-yl carbonate (CID 119096302) is methyl 1,2-thiazol-3-yl carbonate.
What is the SMILES notation for methyl 1,2-thiazol-3-yl carbonate?
The canonical SMILES for methyl 1,2-thiazol-3-yl carbonate is COC(=O)Oc1ccsn1.
What is the InChIKey of methyl 1,2-thiazol-3-yl carbonate?
The InChIKey is QWCHQYONLKIRIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5NO3S/c1-8-5(7)9-4-2-3-10-6-4/h2-3H,1H3.
What are the key properties of methyl 1,2-thiazol-3-yl carbonate?
methyl 1,2-thiazol-3-yl carbonate has a molecular weight of 159.17 g/mol, XLogP of 1.29, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1,2-thiazol-3-yl carbonate is sourced from PubChem (CID 119096302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).