2-methyl-3H-1,2-thiazole 1-oxide;hydrochloride

C4H8ClNOS — CID 70074222

IUPAC2-methyl-3H-1,2-thiazole 1-oxide;hydrochloride
SMILESCN1CC=CS1=O.Cl
InChIInChI=1S/C4H7NOS.ClH/c1-5-3-2-4-7(5)6;/h2,4H,3H2,1H3;1H
InChIKeySADPNGVGIFQCOA-UHFFFAOYSA-N
MW153.63 g/mol
LogP0.53
Rot. Bonds

About 2-methyl-3H-1,2-thiazole 1-oxide;hydrochloride

2-methyl-3H-1,2-thiazole 1-oxide;hydrochloride (PubChem CID 70074222) has the molecular formula C4H8ClNOS and a molecular weight of 153.63 g/mol. Its IUPAC name is 2-methyl-3H-1,2-thiazole 1-oxide;hydrochloride.

Molecular Properties

Compound Name2-methyl-3H-1,2-thiazole 1-oxide;hydrochloride
PubChem CID70074222
Molecular FormulaC4H8ClNOS
Molecular Weight153.63 g/mol
Exact Mass153.00
IUPAC Name2-methyl-3H-1,2-thiazole 1-oxide;hydrochloride
SMILESCN1CC=CS1=O.Cl
InChIInChI=1S/C4H7NOS.ClH/c1-5-3-2-4-7(5)6;/h2,4H,3H2,1H3;1H
InChIKeySADPNGVGIFQCOA-UHFFFAOYSA-N
XLogP0.53
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.63
LogP ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-methyl-3H-1,2-thiazole 1-oxide;hydrochloride 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 2-methyl-3H-1,2-thiazole 1-oxide;hydrochloride?
The IUPAC name of 2-methyl-3H-1,2-thiazole 1-oxide;hydrochloride (CID 70074222) is 2-methyl-3H-1,2-thiazole 1-oxide;hydrochloride.
What is the SMILES notation for 2-methyl-3H-1,2-thiazole 1-oxide;hydrochloride?
The canonical SMILES for 2-methyl-3H-1,2-thiazole 1-oxide;hydrochloride is CN1CC=CS1=O.Cl.
What is the InChIKey of 2-methyl-3H-1,2-thiazole 1-oxide;hydrochloride?
The InChIKey is SADPNGVGIFQCOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NOS.ClH/c1-5-3-2-4-7(5)6;/h2,4H,3H2,1H3;1H.
What are the key properties of 2-methyl-3H-1,2-thiazole 1-oxide;hydrochloride?
2-methyl-3H-1,2-thiazole 1-oxide;hydrochloride has a molecular weight of 153.63 g/mol, XLogP of 0.53, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3H-1,2-thiazole 1-oxide;hydrochloride is sourced from PubChem (CID 70074222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).