2H-1,3-thiazol-3-yl hydrogen carbonate

C4H5NO3S — CID 91147058

IUPAC2H-1,3-thiazol-3-yl hydrogen carbonate
SMILESO=C(O)ON1C=CSC1
InChIInChI=1S/C4H5NO3S/c6-4(7)8-5-1-2-9-3-5/h1-2H,3H2,(H,6,7)
InChIKeyYFFDYQBQMOKMFO-UHFFFAOYSA-N
MW147.16 g/mol
LogP1.07
Rot. Bonds1

About 2H-1,3-thiazol-3-yl hydrogen carbonate

2H-1,3-thiazol-3-yl hydrogen carbonate (PubChem CID 91147058) has the molecular formula C4H5NO3S and a molecular weight of 147.16 g/mol. Its IUPAC name is 2H-1,3-thiazol-3-yl hydrogen carbonate.

Molecular Properties

Compound Name2H-1,3-thiazol-3-yl hydrogen carbonate
PubChem CID91147058
Molecular FormulaC4H5NO3S
Molecular Weight147.16 g/mol
Exact Mass147.00
IUPAC Name2H-1,3-thiazol-3-yl hydrogen carbonate
SMILESO=C(O)ON1C=CSC1
InChIInChI=1S/C4H5NO3S/c6-4(7)8-5-1-2-9-3-5/h1-2H,3H2,(H,6,7)
InChIKeyYFFDYQBQMOKMFO-UHFFFAOYSA-N
XLogP1.07
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.16
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2H-1,3-thiazol-3-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

Related Compounds

Thiazole-3-carboxylic acid
CID 22930385
CID 19104363
CID 19104363
2H-1,3-thiazole-3-carboxylic acid;hydrochloride
CID 66980836
methyl 2H-1,3-thiazol-3-yl carbonate
CID 69552246
2H-1,3-thiazole-3-carboxylic acid;hydrobromide
CID 69699407
carbonic acid;3-methyl-2H-1,3-thiazole
CID 161327713
1-carboxy-2H-1,3-thiazol-1-ium-3-carboxylate
CID 172718868
sodium;hydride;2H-1,3-thiazole-3-carboxylic acid
CID 174751276
2H-1,3-thiazol-1-ium-1,3-dicarboxylic acid
CID 172718869

Frequently Asked Questions

What is the IUPAC name of 2H-1,3-thiazol-3-yl hydrogen carbonate?
The IUPAC name of 2H-1,3-thiazol-3-yl hydrogen carbonate (CID 91147058) is 2H-1,3-thiazol-3-yl hydrogen carbonate.
What is the SMILES notation for 2H-1,3-thiazol-3-yl hydrogen carbonate?
The canonical SMILES for 2H-1,3-thiazol-3-yl hydrogen carbonate is O=C(O)ON1C=CSC1.
What is the InChIKey of 2H-1,3-thiazol-3-yl hydrogen carbonate?
The InChIKey is YFFDYQBQMOKMFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5NO3S/c6-4(7)8-5-1-2-9-3-5/h1-2H,3H2,(H,6,7).
What are the key properties of 2H-1,3-thiazol-3-yl hydrogen carbonate?
2H-1,3-thiazol-3-yl hydrogen carbonate has a molecular weight of 147.16 g/mol, XLogP of 1.07, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-1,3-thiazol-3-yl hydrogen carbonate is sourced from PubChem (CID 91147058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).