5,5-dimethyl-2-phenyl-1,2-thiazole 1-oxide

C11H13NOS — CID 13185261

IUPAC5,5-dimethyl-2-phenyl-1,2-thiazole 1-oxide
SMILESCC1(C)C=CN(c2ccccc2)S1=O
InChIInChI=1S/C11H13NOS/c1-11(2)8-9-12(14(11)13)10-6-4-3-5-7-10/h3-9H,1-2H3
InChIKeyDXMCLNGTZMZTGK-UHFFFAOYSA-N
MW207.30 g/mol
LogP2.46
Rot. Bonds1

About 5,5-dimethyl-2-phenyl-1,2-thiazole 1-oxide

5,5-dimethyl-2-phenyl-1,2-thiazole 1-oxide (PubChem CID 13185261) has the molecular formula C11H13NOS and a molecular weight of 207.30 g/mol. Its IUPAC name is 5,5-dimethyl-2-phenyl-1,2-thiazole 1-oxide.

Molecular Properties

Compound Name5,5-dimethyl-2-phenyl-1,2-thiazole 1-oxide
PubChem CID13185261
Molecular FormulaC11H13NOS
Molecular Weight207.30 g/mol
Exact Mass207.07
IUPAC Name5,5-dimethyl-2-phenyl-1,2-thiazole 1-oxide
SMILESCC1(C)C=CN(c2ccccc2)S1=O
InChIInChI=1S/C11H13NOS/c1-11(2)8-9-12(14(11)13)10-6-4-3-5-7-10/h3-9H,1-2H3
InChIKeyDXMCLNGTZMZTGK-UHFFFAOYSA-N
XLogP2.46
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.30
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-2-phenyl-1,2-thiazole 1-oxide?
The IUPAC name of 5,5-dimethyl-2-phenyl-1,2-thiazole 1-oxide (CID 13185261) is 5,5-dimethyl-2-phenyl-1,2-thiazole 1-oxide.
What is the SMILES notation for 5,5-dimethyl-2-phenyl-1,2-thiazole 1-oxide?
The canonical SMILES for 5,5-dimethyl-2-phenyl-1,2-thiazole 1-oxide is CC1(C)C=CN(c2ccccc2)S1=O.
What is the InChIKey of 5,5-dimethyl-2-phenyl-1,2-thiazole 1-oxide?
The InChIKey is DXMCLNGTZMZTGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NOS/c1-11(2)8-9-12(14(11)13)10-6-4-3-5-7-10/h3-9H,1-2H3.
What are the key properties of 5,5-dimethyl-2-phenyl-1,2-thiazole 1-oxide?
5,5-dimethyl-2-phenyl-1,2-thiazole 1-oxide has a molecular weight of 207.30 g/mol, XLogP of 2.46, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-2-phenyl-1,2-thiazole 1-oxide is sourced from PubChem (CID 13185261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).