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

C4H8ClNS — CID 139794898

IUPAC2-methyl-3H-1,2-thiazole;hydrochloride
SMILESCN1CC=CS1.Cl
InChIInChI=1S/C4H7NS.ClH/c1-5-3-2-4-6-5;/h2,4H,3H2,1H3;1H
InChIKeyGLXYOROCTNIZDK-UHFFFAOYSA-N
MW137.64 g/mol
LogP1.52
Rot. Bonds

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

2-methyl-3H-1,2-thiazole;hydrochloride (PubChem CID 139794898) has the molecular formula C4H8ClNS and a molecular weight of 137.64 g/mol. Its IUPAC name is 2-methyl-3H-1,2-thiazole;hydrochloride.

Molecular Properties

Compound Name2-methyl-3H-1,2-thiazole;hydrochloride
PubChem CID139794898
Molecular FormulaC4H8ClNS
Molecular Weight137.64 g/mol
Exact Mass137.01
IUPAC Name2-methyl-3H-1,2-thiazole;hydrochloride
SMILESCN1CC=CS1.Cl
InChIInChI=1S/C4H7NS.ClH/c1-5-3-2-4-6-5;/h2,4H,3H2,1H3;1H
InChIKeyGLXYOROCTNIZDK-UHFFFAOYSA-N
XLogP1.52
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.64
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3H-1,2-thiazole;hydrochloride?
The IUPAC name of 2-methyl-3H-1,2-thiazole;hydrochloride (CID 139794898) is 2-methyl-3H-1,2-thiazole;hydrochloride.
What is the SMILES notation for 2-methyl-3H-1,2-thiazole;hydrochloride?
The canonical SMILES for 2-methyl-3H-1,2-thiazole;hydrochloride is CN1CC=CS1.Cl.
What is the InChIKey of 2-methyl-3H-1,2-thiazole;hydrochloride?
The InChIKey is GLXYOROCTNIZDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NS.ClH/c1-5-3-2-4-6-5;/h2,4H,3H2,1H3;1H.
What are the key properties of 2-methyl-3H-1,2-thiazole;hydrochloride?
2-methyl-3H-1,2-thiazole;hydrochloride has a molecular weight of 137.64 g/mol, XLogP of 1.52, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3H-1,2-thiazole;hydrochloride is sourced from PubChem (CID 139794898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).