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

C4H5NOS — CID 57269290

IUPAC3-methyl-1,2-thiazole 1-oxide
SMILESCC1=NS(=O)C=C1
InChIInChI=1S/C4H5NOS/c1-4-2-3-7(6)5-4/h2-3H,1H3
InChIKeyKFGWEMFTDGCYSK-UHFFFAOYSA-N
MW115.16 g/mol
LogP0.64
Rot. Bonds

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

3-methyl-1,2-thiazole 1-oxide (PubChem CID 57269290) has the molecular formula C4H5NOS and a molecular weight of 115.16 g/mol. Its IUPAC name is 3-methyl-1,2-thiazole 1-oxide.

Molecular Properties

Compound Name3-methyl-1,2-thiazole 1-oxide
PubChem CID57269290
Molecular FormulaC4H5NOS
Molecular Weight115.16 g/mol
Exact Mass115.01
IUPAC Name3-methyl-1,2-thiazole 1-oxide
SMILESCC1=NS(=O)C=C1
InChIInChI=1S/C4H5NOS/c1-4-2-3-7(6)5-4/h2-3H,1H3
InChIKeyKFGWEMFTDGCYSK-UHFFFAOYSA-N
XLogP0.64
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.16
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1,2-thiazole 1-oxide?
The IUPAC name of 3-methyl-1,2-thiazole 1-oxide (CID 57269290) is 3-methyl-1,2-thiazole 1-oxide.
What is the SMILES notation for 3-methyl-1,2-thiazole 1-oxide?
The canonical SMILES for 3-methyl-1,2-thiazole 1-oxide is CC1=NS(=O)C=C1.
What is the InChIKey of 3-methyl-1,2-thiazole 1-oxide?
The InChIKey is KFGWEMFTDGCYSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5NOS/c1-4-2-3-7(6)5-4/h2-3H,1H3.
What are the key properties of 3-methyl-1,2-thiazole 1-oxide?
3-methyl-1,2-thiazole 1-oxide has a molecular weight of 115.16 g/mol, XLogP of 0.64, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1,2-thiazole 1-oxide is sourced from PubChem (CID 57269290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).