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

C4H7NOS — CID 66678719

IUPAC2-methyl-3H-1,2-thiazole 1-oxide
SMILESCN1CC=CS1=O
InChIInChI=1S/C4H7NOS/c1-5-3-2-4-7(5)6/h2,4H,3H2,1H3
InChIKeyQEYKLZYTRRKMAT-UHFFFAOYSA-N
MW117.17 g/mol
LogP0.11
Rot. Bonds

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

2-methyl-3H-1,2-thiazole 1-oxide (PubChem CID 66678719) has the molecular formula C4H7NOS and a molecular weight of 117.17 g/mol. Its IUPAC name is 2-methyl-3H-1,2-thiazole 1-oxide.

Molecular Properties

Compound Name2-methyl-3H-1,2-thiazole 1-oxide
PubChem CID66678719
Molecular FormulaC4H7NOS
Molecular Weight117.17 g/mol
Exact Mass117.02
IUPAC Name2-methyl-3H-1,2-thiazole 1-oxide
SMILESCN1CC=CS1=O
InChIInChI=1S/C4H7NOS/c1-5-3-2-4-7(5)6/h2,4H,3H2,1H3
InChIKeyQEYKLZYTRRKMAT-UHFFFAOYSA-N
XLogP0.11
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.17
LogP ≤ 50.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3H-1,2-thiazole 1-oxide?
The IUPAC name of 2-methyl-3H-1,2-thiazole 1-oxide (CID 66678719) is 2-methyl-3H-1,2-thiazole 1-oxide.
What is the SMILES notation for 2-methyl-3H-1,2-thiazole 1-oxide?
The canonical SMILES for 2-methyl-3H-1,2-thiazole 1-oxide is CN1CC=CS1=O.
What is the InChIKey of 2-methyl-3H-1,2-thiazole 1-oxide?
The InChIKey is QEYKLZYTRRKMAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NOS/c1-5-3-2-4-7(5)6/h2,4H,3H2,1H3.
What are the key properties of 2-methyl-3H-1,2-thiazole 1-oxide?
2-methyl-3H-1,2-thiazole 1-oxide has a molecular weight of 117.17 g/mol, XLogP of 0.11, 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 is sourced from PubChem (CID 66678719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).