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

C5H6N2O3S — CID 57171113

IUPAC(3-methyl-1,2,4-thiadiazol-5-yl)methyl hydrogen carbonate
SMILESCc1nsc(COC(=O)O)n1
InChIInChI=1S/C5H6N2O3S/c1-3-6-4(11-7-3)2-10-5(8)9/h2H2,1H3,(H,8,9)
InChIKeyACHXXZZJUNHUBR-UHFFFAOYSA-N
MW174.18 g/mol
LogP1.04
Rot. Bonds2

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

(3-methyl-1,2,4-thiadiazol-5-yl)methyl hydrogen carbonate (PubChem CID 57171113) has the molecular formula C5H6N2O3S and a molecular weight of 174.18 g/mol. Its IUPAC name is (3-methyl-1,2,4-thiadiazol-5-yl)methyl hydrogen carbonate.

Molecular Properties

Compound Name(3-methyl-1,2,4-thiadiazol-5-yl)methyl hydrogen carbonate
PubChem CID57171113
Molecular FormulaC5H6N2O3S
Molecular Weight174.18 g/mol
Exact Mass174.01
IUPAC Name(3-methyl-1,2,4-thiadiazol-5-yl)methyl hydrogen carbonate
SMILESCc1nsc(COC(=O)O)n1
InChIInChI=1S/C5H6N2O3S/c1-3-6-4(11-7-3)2-10-5(8)9/h2H2,1H3,(H,8,9)
InChIKeyACHXXZZJUNHUBR-UHFFFAOYSA-N
XLogP1.04
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.18
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3-methyl-1,2,4-thiadiazol-5-yl)methyl 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 (3-methyl-1,2,4-thiadiazol-5-yl)methyl hydrogen carbonate?
The IUPAC name of (3-methyl-1,2,4-thiadiazol-5-yl)methyl hydrogen carbonate (CID 57171113) is (3-methyl-1,2,4-thiadiazol-5-yl)methyl hydrogen carbonate.
What is the SMILES notation for (3-methyl-1,2,4-thiadiazol-5-yl)methyl hydrogen carbonate?
The canonical SMILES for (3-methyl-1,2,4-thiadiazol-5-yl)methyl hydrogen carbonate is Cc1nsc(COC(=O)O)n1.
What is the InChIKey of (3-methyl-1,2,4-thiadiazol-5-yl)methyl hydrogen carbonate?
The InChIKey is ACHXXZZJUNHUBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O3S/c1-3-6-4(11-7-3)2-10-5(8)9/h2H2,1H3,(H,8,9).
What are the key properties of (3-methyl-1,2,4-thiadiazol-5-yl)methyl hydrogen carbonate?
(3-methyl-1,2,4-thiadiazol-5-yl)methyl hydrogen carbonate has a molecular weight of 174.18 g/mol, XLogP of 1.04, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-1,2,4-thiadiazol-5-yl)methyl hydrogen carbonate is sourced from PubChem (CID 57171113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).