ethyl (2-methyl-1,3-thiazol-4-yl) carbonate

C7H9NO3S — CID 57220878

IUPACethyl (2-methyl-1,3-thiazol-4-yl) carbonate
SMILESCCOC(=O)Oc1csc(C)n1
InChIInChI=1S/C7H9NO3S/c1-3-10-7(9)11-6-4-12-5(2)8-6/h4H,3H2,1-2H3
InChIKeyRUEPWCNJDAHTJI-UHFFFAOYSA-N
MW187.22 g/mol
LogP1.99
Rot. Bonds2

About ethyl (2-methyl-1,3-thiazol-4-yl) carbonate

ethyl (2-methyl-1,3-thiazol-4-yl) carbonate (PubChem CID 57220878) has the molecular formula C7H9NO3S and a molecular weight of 187.22 g/mol. Its IUPAC name is ethyl (2-methyl-1,3-thiazol-4-yl) carbonate.

Molecular Properties

Compound Nameethyl (2-methyl-1,3-thiazol-4-yl) carbonate
PubChem CID57220878
Molecular FormulaC7H9NO3S
Molecular Weight187.22 g/mol
Exact Mass187.03
IUPAC Nameethyl (2-methyl-1,3-thiazol-4-yl) carbonate
SMILESCCOC(=O)Oc1csc(C)n1
InChIInChI=1S/C7H9NO3S/c1-3-10-7(9)11-6-4-12-5(2)8-6/h4H,3H2,1-2H3
InChIKeyRUEPWCNJDAHTJI-UHFFFAOYSA-N
XLogP1.99
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.22
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(Trifluoromethyl)-1,3-thiazol-4-yl] hydrogen carbonate
CID 129283998
(2-Bromo-1,3-thiazol-4-yl) ethyl carbonate
CID 17802332
2,4-Dimethoxythiazole
CID 22342547
Thiazole, 4-methoxy-2-methyl-
CID 45121779
(2-Methyl-1,3-thiazol-4-yl) acetate
CID 57319426
4-(2-Methoxyethoxymethoxy)-2-methyl-1,3-thiazole
CID 57674726
(2-Propan-2-yl-1,3-thiazol-4-yl) formate
CID 58282660
[2-(2-Aminoethyl)-1,3-thiazol-4-yl] ethyl carbonate
CID 67053266
(2-Methoxy-1,3-thiazol-4-yl) formate
CID 88857718
(2-Methyl-1,3-thiazol-4-yl) formate
CID 123246825
Methyl 1,3-thiazol-4-yl carbonate
CID 154445774
Ethyl 1,3-thiazol-4-yl carbonate
CID 156304540

Frequently Asked Questions

What is the IUPAC name of ethyl (2-methyl-1,3-thiazol-4-yl) carbonate?
The IUPAC name of ethyl (2-methyl-1,3-thiazol-4-yl) carbonate (CID 57220878) is ethyl (2-methyl-1,3-thiazol-4-yl) carbonate.
What is the SMILES notation for ethyl (2-methyl-1,3-thiazol-4-yl) carbonate?
The canonical SMILES for ethyl (2-methyl-1,3-thiazol-4-yl) carbonate is CCOC(=O)Oc1csc(C)n1.
What is the InChIKey of ethyl (2-methyl-1,3-thiazol-4-yl) carbonate?
The InChIKey is RUEPWCNJDAHTJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO3S/c1-3-10-7(9)11-6-4-12-5(2)8-6/h4H,3H2,1-2H3.
What are the key properties of ethyl (2-methyl-1,3-thiazol-4-yl) carbonate?
ethyl (2-methyl-1,3-thiazol-4-yl) carbonate has a molecular weight of 187.22 g/mol, XLogP of 1.99, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2-methyl-1,3-thiazol-4-yl) carbonate is sourced from PubChem (CID 57220878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).