9-(4-tert-butyl-2,6-dimethylphenyl)-2-methylfuro[3,2-b][1,4]benzothiazine

C23H25NOS — CID 59572687

IUPAC9-(4-tert-butyl-2,6-dimethylphenyl)-2-methylfuro[3,2-b][1,4]benzothiazine
SMILESCc1cc2c(o1)N(c1c(C)cc(C(C)(C)C)cc1C)c1ccccc1S2
InChIInChI=1S/C23H25NOS/c1-14-11-17(23(4,5)6)12-15(2)21(14)24-18-9-7-8-10-19(18)26-20-13-16(3)25-22(20)24/h7-13H,1-6H3
InChIKeyHKAGUDKWFZPRCO-UHFFFAOYSA-N
MW363.53 g/mol
LogP7.44
Rot. Bonds1

About 9-(4-tert-butyl-2,6-dimethylphenyl)-2-methylfuro[3,2-b][1,4]benzothiazine

9-(4-tert-butyl-2,6-dimethylphenyl)-2-methylfuro[3,2-b][1,4]benzothiazine (PubChem CID 59572687) has the molecular formula C23H25NOS and a molecular weight of 363.53 g/mol. Its IUPAC name is 9-(4-tert-butyl-2,6-dimethylphenyl)-2-methylfuro[3,2-b][1,4]benzothiazine.

Molecular Properties

Compound Name9-(4-tert-butyl-2,6-dimethylphenyl)-2-methylfuro[3,2-b][1,4]benzothiazine
PubChem CID59572687
Molecular FormulaC23H25NOS
Molecular Weight363.53 g/mol
Exact Mass363.17
IUPAC Name9-(4-tert-butyl-2,6-dimethylphenyl)-2-methylfuro[3,2-b][1,4]benzothiazine
SMILESCc1cc2c(o1)N(c1c(C)cc(C(C)(C)C)cc1C)c1ccccc1S2
InChIInChI=1S/C23H25NOS/c1-14-11-17(23(4,5)6)12-15(2)21(14)24-18-9-7-8-10-19(18)26-20-13-16(3)25-22(20)24/h7-13H,1-6H3
InChIKeyHKAGUDKWFZPRCO-UHFFFAOYSA-N
XLogP7.44
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.53
LogP ≤ 57.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-(4-tert-butyl-2,6-dimethylphenyl)-2-methylfuro[3,2-b][1,4]benzothiazine?
The IUPAC name of 9-(4-tert-butyl-2,6-dimethylphenyl)-2-methylfuro[3,2-b][1,4]benzothiazine (CID 59572687) is 9-(4-tert-butyl-2,6-dimethylphenyl)-2-methylfuro[3,2-b][1,4]benzothiazine.
What is the SMILES notation for 9-(4-tert-butyl-2,6-dimethylphenyl)-2-methylfuro[3,2-b][1,4]benzothiazine?
The canonical SMILES for 9-(4-tert-butyl-2,6-dimethylphenyl)-2-methylfuro[3,2-b][1,4]benzothiazine is Cc1cc2c(o1)N(c1c(C)cc(C(C)(C)C)cc1C)c1ccccc1S2.
What is the InChIKey of 9-(4-tert-butyl-2,6-dimethylphenyl)-2-methylfuro[3,2-b][1,4]benzothiazine?
The InChIKey is HKAGUDKWFZPRCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NOS/c1-14-11-17(23(4,5)6)12-15(2)21(14)24-18-9-7-8-10-19(18)26-20-13-16(3)25-22(20)24/h7-13H,1-6H3.
What are the key properties of 9-(4-tert-butyl-2,6-dimethylphenyl)-2-methylfuro[3,2-b][1,4]benzothiazine?
9-(4-tert-butyl-2,6-dimethylphenyl)-2-methylfuro[3,2-b][1,4]benzothiazine has a molecular weight of 363.53 g/mol, XLogP of 7.44, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-tert-butyl-2,6-dimethylphenyl)-2-methylfuro[3,2-b][1,4]benzothiazine is sourced from PubChem (CID 59572687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).