2-methoxy-3-methyl-2H-1,3-thiazole;methyl hydrogen carbonate

C7H13NO4S — CID 174755310

IUPAC2-methoxy-3-methyl-2H-1,3-thiazole;methyl hydrogen carbonate
SMILESCOC(=O)O.COC1SC=CN1C
InChIInChI=1S/C5H9NOS.C2H4O3/c1-6-3-4-8-5(6)7-2;1-5-2(3)4/h3-5H,1-2H3;1H3,(H,3,4)
InChIKeyGUGJXVHFAHXJED-UHFFFAOYSA-N
MW207.25 g/mol
LogP1.38
Rot. Bonds1

About 2-methoxy-3-methyl-2H-1,3-thiazole;methyl hydrogen carbonate

2-methoxy-3-methyl-2H-1,3-thiazole;methyl hydrogen carbonate (PubChem CID 174755310) has the molecular formula C7H13NO4S and a molecular weight of 207.25 g/mol. Its IUPAC name is 2-methoxy-3-methyl-2H-1,3-thiazole;methyl hydrogen carbonate.

Molecular Properties

Compound Name2-methoxy-3-methyl-2H-1,3-thiazole;methyl hydrogen carbonate
PubChem CID174755310
Molecular FormulaC7H13NO4S
Molecular Weight207.25 g/mol
Exact Mass207.06
IUPAC Name2-methoxy-3-methyl-2H-1,3-thiazole;methyl hydrogen carbonate
SMILESCOC(=O)O.COC1SC=CN1C
InChIInChI=1S/C5H9NOS.C2H4O3/c1-6-3-4-8-5(6)7-2;1-5-2(3)4/h3-5H,1-2H3;1H3,(H,3,4)
InChIKeyGUGJXVHFAHXJED-UHFFFAOYSA-N
XLogP1.38
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.25
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-methyl-2H-1,3-thiazole;methyl hydrogen carbonate?
The IUPAC name of 2-methoxy-3-methyl-2H-1,3-thiazole;methyl hydrogen carbonate (CID 174755310) is 2-methoxy-3-methyl-2H-1,3-thiazole;methyl hydrogen carbonate.
What is the SMILES notation for 2-methoxy-3-methyl-2H-1,3-thiazole;methyl hydrogen carbonate?
The canonical SMILES for 2-methoxy-3-methyl-2H-1,3-thiazole;methyl hydrogen carbonate is COC(=O)O.COC1SC=CN1C.
What is the InChIKey of 2-methoxy-3-methyl-2H-1,3-thiazole;methyl hydrogen carbonate?
The InChIKey is GUGJXVHFAHXJED-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NOS.C2H4O3/c1-6-3-4-8-5(6)7-2;1-5-2(3)4/h3-5H,1-2H3;1H3,(H,3,4).
What are the key properties of 2-methoxy-3-methyl-2H-1,3-thiazole;methyl hydrogen carbonate?
2-methoxy-3-methyl-2H-1,3-thiazole;methyl hydrogen carbonate has a molecular weight of 207.25 g/mol, XLogP of 1.38, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-methyl-2H-1,3-thiazole;methyl hydrogen carbonate is sourced from PubChem (CID 174755310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).