(4-methoxy-2-methyl-1,3-thiazol-5-yl) hydrogen carbonate

C6H7NO4S — CID 68567857

IUPAC(4-methoxy-2-methyl-1,3-thiazol-5-yl) hydrogen carbonate
SMILESCOc1nc(C)sc1OC(=O)O
InChIInChI=1S/C6H7NO4S/c1-3-7-4(10-2)5(12-3)11-6(8)9/h1-2H3,(H,8,9)
InChIKeyRTKNVSPBRTYZDP-UHFFFAOYSA-N
MW189.19 g/mol
LogP1.52
Rot. Bonds2

About (4-methoxy-2-methyl-1,3-thiazol-5-yl) hydrogen carbonate

(4-methoxy-2-methyl-1,3-thiazol-5-yl) hydrogen carbonate (PubChem CID 68567857) has the molecular formula C6H7NO4S and a molecular weight of 189.19 g/mol. Its IUPAC name is (4-methoxy-2-methyl-1,3-thiazol-5-yl) hydrogen carbonate.

Molecular Properties

Compound Name(4-methoxy-2-methyl-1,3-thiazol-5-yl) hydrogen carbonate
PubChem CID68567857
Molecular FormulaC6H7NO4S
Molecular Weight189.19 g/mol
Exact Mass189.01
IUPAC Name(4-methoxy-2-methyl-1,3-thiazol-5-yl) hydrogen carbonate
SMILESCOc1nc(C)sc1OC(=O)O
InChIInChI=1S/C6H7NO4S/c1-3-7-4(10-2)5(12-3)11-6(8)9/h1-2H3,(H,8,9)
InChIKeyRTKNVSPBRTYZDP-UHFFFAOYSA-N
XLogP1.52
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.19
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-methoxy-2-methyl-1,3-thiazol-5-yl) hydrogen carbonate?
The IUPAC name of (4-methoxy-2-methyl-1,3-thiazol-5-yl) hydrogen carbonate (CID 68567857) is (4-methoxy-2-methyl-1,3-thiazol-5-yl) hydrogen carbonate.
What is the SMILES notation for (4-methoxy-2-methyl-1,3-thiazol-5-yl) hydrogen carbonate?
The canonical SMILES for (4-methoxy-2-methyl-1,3-thiazol-5-yl) hydrogen carbonate is COc1nc(C)sc1OC(=O)O.
What is the InChIKey of (4-methoxy-2-methyl-1,3-thiazol-5-yl) hydrogen carbonate?
The InChIKey is RTKNVSPBRTYZDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO4S/c1-3-7-4(10-2)5(12-3)11-6(8)9/h1-2H3,(H,8,9).
What are the key properties of (4-methoxy-2-methyl-1,3-thiazol-5-yl) hydrogen carbonate?
(4-methoxy-2-methyl-1,3-thiazol-5-yl) hydrogen carbonate has a molecular weight of 189.19 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxy-2-methyl-1,3-thiazol-5-yl) hydrogen carbonate is sourced from PubChem (CID 68567857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).