2,3,5-trimethyl-3-phenyl-1,2-benzothiazole 1,1-dioxide

C16H17NO2S — CID 510612

IUPAC2,3,5-trimethyl-3-phenyl-1,2-benzothiazole 1,1-dioxide
SMILESCc1ccc2c(c1)C(C)(c1ccccc1)N(C)S2(=O)=O
InChIInChI=1S/C16H17NO2S/c1-12-9-10-15-14(11-12)16(2,17(3)20(15,18)19)13-7-5-4-6-8-13/h4-11H,1-3H3
InChIKeyYLHGMRSUHZSNCB-UHFFFAOYSA-N
MW287.38 g/mol
LogP2.89
Rot. Bonds1

About 2,3,5-trimethyl-3-phenyl-1,2-benzothiazole 1,1-dioxide

2,3,5-trimethyl-3-phenyl-1,2-benzothiazole 1,1-dioxide (PubChem CID 510612) has the molecular formula C16H17NO2S and a molecular weight of 287.38 g/mol. Its IUPAC name is 2,3,5-trimethyl-3-phenyl-1,2-benzothiazole 1,1-dioxide.

Molecular Properties

Compound Name2,3,5-trimethyl-3-phenyl-1,2-benzothiazole 1,1-dioxide
PubChem CID510612
Molecular FormulaC16H17NO2S
Molecular Weight287.38 g/mol
Exact Mass287.10
IUPAC Name2,3,5-trimethyl-3-phenyl-1,2-benzothiazole 1,1-dioxide
SMILESCc1ccc2c(c1)C(C)(c1ccccc1)N(C)S2(=O)=O
InChIInChI=1S/C16H17NO2S/c1-12-9-10-15-14(11-12)16(2,17(3)20(15,18)19)13-7-5-4-6-8-13/h4-11H,1-3H3
InChIKeyYLHGMRSUHZSNCB-UHFFFAOYSA-N
XLogP2.89
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2,3,5-trimethyl-3-phenyl-1,2-benzothiazole 1,1-dioxide?
The IUPAC name of 2,3,5-trimethyl-3-phenyl-1,2-benzothiazole 1,1-dioxide (CID 510612) is 2,3,5-trimethyl-3-phenyl-1,2-benzothiazole 1,1-dioxide.
What is the SMILES notation for 2,3,5-trimethyl-3-phenyl-1,2-benzothiazole 1,1-dioxide?
The canonical SMILES for 2,3,5-trimethyl-3-phenyl-1,2-benzothiazole 1,1-dioxide is Cc1ccc2c(c1)C(C)(c1ccccc1)N(C)S2(=O)=O.
What is the InChIKey of 2,3,5-trimethyl-3-phenyl-1,2-benzothiazole 1,1-dioxide?
The InChIKey is YLHGMRSUHZSNCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2S/c1-12-9-10-15-14(11-12)16(2,17(3)20(15,18)19)13-7-5-4-6-8-13/h4-11H,1-3H3.
What are the key properties of 2,3,5-trimethyl-3-phenyl-1,2-benzothiazole 1,1-dioxide?
2,3,5-trimethyl-3-phenyl-1,2-benzothiazole 1,1-dioxide has a molecular weight of 287.38 g/mol, XLogP of 2.89, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5-trimethyl-3-phenyl-1,2-benzothiazole 1,1-dioxide is sourced from PubChem (CID 510612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).