ethyl 1,3-thiazol-2-yl carbonate

C6H7NO3S — CID 70098250

IUPACethyl 1,3-thiazol-2-yl carbonate
SMILESCCOC(=O)Oc1nccs1
InChIInChI=1S/C6H7NO3S/c1-2-9-6(8)10-5-7-3-4-11-5/h3-4H,2H2,1H3
InChIKeyGOTLQVTYDIMKOV-UHFFFAOYSA-N
MW173.19 g/mol
LogP1.68
Rot. Bonds2

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

ethyl 1,3-thiazol-2-yl carbonate (PubChem CID 70098250) has the molecular formula C6H7NO3S and a molecular weight of 173.19 g/mol. Its IUPAC name is ethyl 1,3-thiazol-2-yl carbonate.

Molecular Properties

Compound Nameethyl 1,3-thiazol-2-yl carbonate
PubChem CID70098250
Molecular FormulaC6H7NO3S
Molecular Weight173.19 g/mol
Exact Mass173.01
IUPAC Nameethyl 1,3-thiazol-2-yl carbonate
SMILESCCOC(=O)Oc1nccs1
InChIInChI=1S/C6H7NO3S/c1-2-9-6(8)10-5-7-3-4-11-5/h3-4H,2H2,1H3
InChIKeyGOTLQVTYDIMKOV-UHFFFAOYSA-N
XLogP1.68
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.19
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 1,3-thiazol-2-yl carbonate?
The IUPAC name of ethyl 1,3-thiazol-2-yl carbonate (CID 70098250) is ethyl 1,3-thiazol-2-yl carbonate.
What is the SMILES notation for ethyl 1,3-thiazol-2-yl carbonate?
The canonical SMILES for ethyl 1,3-thiazol-2-yl carbonate is CCOC(=O)Oc1nccs1.
What is the InChIKey of ethyl 1,3-thiazol-2-yl carbonate?
The InChIKey is GOTLQVTYDIMKOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO3S/c1-2-9-6(8)10-5-7-3-4-11-5/h3-4H,2H2,1H3.
What are the key properties of ethyl 1,3-thiazol-2-yl carbonate?
ethyl 1,3-thiazol-2-yl carbonate has a molecular weight of 173.19 g/mol, XLogP of 1.68, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1,3-thiazol-2-yl carbonate is sourced from PubChem (CID 70098250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).