1,3-thiazol-5-ylmethyl hydrogen carbonate

C5H5NO3S — CID 54002772

IUPAC1,3-thiazol-5-ylmethyl hydrogen carbonate
SMILESO=C(O)OCc1cncs1
InChIInChI=1S/C5H5NO3S/c7-5(8)9-2-4-1-6-3-10-4/h1,3H,2H2,(H,7,8)
InChIKeyKMTXKJAMNZYVII-UHFFFAOYSA-N
MW159.17 g/mol
LogP1.34
Rot. Bonds2

About 1,3-thiazol-5-ylmethyl hydrogen carbonate

1,3-thiazol-5-ylmethyl hydrogen carbonate (PubChem CID 54002772) has the molecular formula C5H5NO3S and a molecular weight of 159.17 g/mol. Its IUPAC name is 1,3-thiazol-5-ylmethyl hydrogen carbonate.

Molecular Properties

Compound Name1,3-thiazol-5-ylmethyl hydrogen carbonate
PubChem CID54002772
Molecular FormulaC5H5NO3S
Molecular Weight159.17 g/mol
Exact Mass159.00
IUPAC Name1,3-thiazol-5-ylmethyl hydrogen carbonate
SMILESO=C(O)OCc1cncs1
InChIInChI=1S/C5H5NO3S/c7-5(8)9-2-4-1-6-3-10-4/h1,3H,2H2,(H,7,8)
InChIKeyKMTXKJAMNZYVII-UHFFFAOYSA-N
XLogP1.34
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.17
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,3-thiazol-5-ylmethyl hydrogen carbonate?
The IUPAC name of 1,3-thiazol-5-ylmethyl hydrogen carbonate (CID 54002772) is 1,3-thiazol-5-ylmethyl hydrogen carbonate.
What is the SMILES notation for 1,3-thiazol-5-ylmethyl hydrogen carbonate?
The canonical SMILES for 1,3-thiazol-5-ylmethyl hydrogen carbonate is O=C(O)OCc1cncs1.
What is the InChIKey of 1,3-thiazol-5-ylmethyl hydrogen carbonate?
The InChIKey is KMTXKJAMNZYVII-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5NO3S/c7-5(8)9-2-4-1-6-3-10-4/h1,3H,2H2,(H,7,8).
What are the key properties of 1,3-thiazol-5-ylmethyl hydrogen carbonate?
1,3-thiazol-5-ylmethyl hydrogen carbonate has a molecular weight of 159.17 g/mol, XLogP of 1.34, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-thiazol-5-ylmethyl hydrogen carbonate is sourced from PubChem (CID 54002772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).