1,3-thiazol-4-yl hydrogen carbonate

C4H3NO3S — CID 66911350

IUPAC1,3-thiazol-4-yl hydrogen carbonate
SMILESO=C(O)Oc1cscn1
InChIInChI=1S/C4H3NO3S/c6-4(7)8-3-1-9-2-5-3/h1-2H,(H,6,7)
InChIKeyXSFZVNSDUFGMCH-UHFFFAOYSA-N
MW145.14 g/mol
LogP1.20
Rot. Bonds1

About 1,3-thiazol-4-yl hydrogen carbonate

1,3-thiazol-4-yl hydrogen carbonate (PubChem CID 66911350) has the molecular formula C4H3NO3S and a molecular weight of 145.14 g/mol. Its IUPAC name is 1,3-thiazol-4-yl hydrogen carbonate.

Molecular Properties

Compound Name1,3-thiazol-4-yl hydrogen carbonate
PubChem CID66911350
Molecular FormulaC4H3NO3S
Molecular Weight145.14 g/mol
Exact Mass144.98
IUPAC Name1,3-thiazol-4-yl hydrogen carbonate
SMILESO=C(O)Oc1cscn1
InChIInChI=1S/C4H3NO3S/c6-4(7)8-3-1-9-2-5-3/h1-2H,(H,6,7)
InChIKeyXSFZVNSDUFGMCH-UHFFFAOYSA-N
XLogP1.20
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.14
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1,3-thiazol-4-yl hydrogen carbonate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,3-thiazol-4-yl hydrogen carbonate?
The IUPAC name of 1,3-thiazol-4-yl hydrogen carbonate (CID 66911350) is 1,3-thiazol-4-yl hydrogen carbonate.
What is the SMILES notation for 1,3-thiazol-4-yl hydrogen carbonate?
The canonical SMILES for 1,3-thiazol-4-yl hydrogen carbonate is O=C(O)Oc1cscn1.
What is the InChIKey of 1,3-thiazol-4-yl hydrogen carbonate?
The InChIKey is XSFZVNSDUFGMCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3NO3S/c6-4(7)8-3-1-9-2-5-3/h1-2H,(H,6,7).
What are the key properties of 1,3-thiazol-4-yl hydrogen carbonate?
1,3-thiazol-4-yl hydrogen carbonate has a molecular weight of 145.14 g/mol, XLogP of 1.20, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-thiazol-4-yl hydrogen carbonate is sourced from PubChem (CID 66911350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).