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

C4H7NOS — CID 67443768

IUPAC3-methyl-2H-1,3-thiazole 1-oxide
SMILESCN1C=CS(=O)C1
InChIInChI=1S/C4H7NOS/c1-5-2-3-7(6)4-5/h2-3H,4H2,1H3
InChIKeyICKCISMFHBKQAE-UHFFFAOYSA-N
MW117.17 g/mol
LogP0.11
Rot. Bonds

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

3-methyl-2H-1,3-thiazole 1-oxide (PubChem CID 67443768) has the molecular formula C4H7NOS and a molecular weight of 117.17 g/mol. Its IUPAC name is 3-methyl-2H-1,3-thiazole 1-oxide.

Molecular Properties

Compound Name3-methyl-2H-1,3-thiazole 1-oxide
PubChem CID67443768
Molecular FormulaC4H7NOS
Molecular Weight117.17 g/mol
Exact Mass117.02
IUPAC Name3-methyl-2H-1,3-thiazole 1-oxide
SMILESCN1C=CS(=O)C1
InChIInChI=1S/C4H7NOS/c1-5-2-3-7(6)4-5/h2-3H,4H2,1H3
InChIKeyICKCISMFHBKQAE-UHFFFAOYSA-N
XLogP0.11
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
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 ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2H-1,3-thiazole 1-oxide?
The IUPAC name of 3-methyl-2H-1,3-thiazole 1-oxide (CID 67443768) is 3-methyl-2H-1,3-thiazole 1-oxide.
What is the SMILES notation for 3-methyl-2H-1,3-thiazole 1-oxide?
The canonical SMILES for 3-methyl-2H-1,3-thiazole 1-oxide is CN1C=CS(=O)C1.
What is the InChIKey of 3-methyl-2H-1,3-thiazole 1-oxide?
The InChIKey is ICKCISMFHBKQAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NOS/c1-5-2-3-7(6)4-5/h2-3H,4H2,1H3.
What are the key properties of 3-methyl-2H-1,3-thiazole 1-oxide?
3-methyl-2H-1,3-thiazole 1-oxide has a molecular weight of 117.17 g/mol, XLogP of 0.11, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2H-1,3-thiazole 1-oxide is sourced from PubChem (CID 67443768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).