5,5-dimethyl-2,3-diphenyl-1,2-thiazole 1-oxide

C17H17NOS — CID 13185263

IUPAC5,5-dimethyl-2,3-diphenyl-1,2-thiazole 1-oxide
SMILESCC1(C)C=C(c2ccccc2)N(c2ccccc2)S1=O
InChIInChI=1S/C17H17NOS/c1-17(2)13-16(14-9-5-3-6-10-14)18(20(17)19)15-11-7-4-8-12-15/h3-13H,1-2H3
InChIKeyOXJMRZANHBKLFJ-UHFFFAOYSA-N
MW283.40 g/mol
LogP3.99
Rot. Bonds2

About 5,5-dimethyl-2,3-diphenyl-1,2-thiazole 1-oxide

5,5-dimethyl-2,3-diphenyl-1,2-thiazole 1-oxide (PubChem CID 13185263) has the molecular formula C17H17NOS and a molecular weight of 283.40 g/mol. Its IUPAC name is 5,5-dimethyl-2,3-diphenyl-1,2-thiazole 1-oxide.

Molecular Properties

Compound Name5,5-dimethyl-2,3-diphenyl-1,2-thiazole 1-oxide
PubChem CID13185263
Molecular FormulaC17H17NOS
Molecular Weight283.40 g/mol
Exact Mass283.10
IUPAC Name5,5-dimethyl-2,3-diphenyl-1,2-thiazole 1-oxide
SMILESCC1(C)C=C(c2ccccc2)N(c2ccccc2)S1=O
InChIInChI=1S/C17H17NOS/c1-17(2)13-16(14-9-5-3-6-10-14)18(20(17)19)15-11-7-4-8-12-15/h3-13H,1-2H3
InChIKeyOXJMRZANHBKLFJ-UHFFFAOYSA-N
XLogP3.99
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-2,3-diphenyl-1,2-thiazole 1-oxide?
The IUPAC name of 5,5-dimethyl-2,3-diphenyl-1,2-thiazole 1-oxide (CID 13185263) is 5,5-dimethyl-2,3-diphenyl-1,2-thiazole 1-oxide.
What is the SMILES notation for 5,5-dimethyl-2,3-diphenyl-1,2-thiazole 1-oxide?
The canonical SMILES for 5,5-dimethyl-2,3-diphenyl-1,2-thiazole 1-oxide is CC1(C)C=C(c2ccccc2)N(c2ccccc2)S1=O.
What is the InChIKey of 5,5-dimethyl-2,3-diphenyl-1,2-thiazole 1-oxide?
The InChIKey is OXJMRZANHBKLFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NOS/c1-17(2)13-16(14-9-5-3-6-10-14)18(20(17)19)15-11-7-4-8-12-15/h3-13H,1-2H3.
What are the key properties of 5,5-dimethyl-2,3-diphenyl-1,2-thiazole 1-oxide?
5,5-dimethyl-2,3-diphenyl-1,2-thiazole 1-oxide has a molecular weight of 283.40 g/mol, XLogP of 3.99, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-2,3-diphenyl-1,2-thiazole 1-oxide is sourced from PubChem (CID 13185263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).