10-[3-(1,3-benzothiazol-2-yl)phenyl]phenoxazine

C25H16N2OS — CID 129148169

IUPAC10-[3-(1,3-benzothiazol-2-yl)phenyl]phenoxazine
SMILESc1cc(-c2nc3ccccc3s2)cc(N2c3ccccc3Oc3ccccc32)c1
InChIInChI=1S/C25H16N2OS/c1-6-15-24-19(10-1)26-25(29-24)17-8-7-9-18(16-17)27-20-11-2-4-13-22(20)28-23-14-5-3-12-21(23)27/h1-16H
InChIKeyKDXABVFVEMDRIA-UHFFFAOYSA-N
MW392.48 g/mol
LogP7.54
Rot. Bonds2

About 10-[3-(1,3-benzothiazol-2-yl)phenyl]phenoxazine

10-[3-(1,3-benzothiazol-2-yl)phenyl]phenoxazine (PubChem CID 129148169) has the molecular formula C25H16N2OS and a molecular weight of 392.48 g/mol. Its IUPAC name is 10-[3-(1,3-benzothiazol-2-yl)phenyl]phenoxazine.

Molecular Properties

Compound Name10-[3-(1,3-benzothiazol-2-yl)phenyl]phenoxazine
PubChem CID129148169
Molecular FormulaC25H16N2OS
Molecular Weight392.48 g/mol
Exact Mass392.10
IUPAC Name10-[3-(1,3-benzothiazol-2-yl)phenyl]phenoxazine
SMILESc1cc(-c2nc3ccccc3s2)cc(N2c3ccccc3Oc3ccccc32)c1
InChIInChI=1S/C25H16N2OS/c1-6-15-24-19(10-1)26-25(29-24)17-8-7-9-18(16-17)27-20-11-2-4-13-22(20)28-23-14-5-3-12-21(23)27/h1-16H
InChIKeyKDXABVFVEMDRIA-UHFFFAOYSA-N
XLogP7.54
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.48
LogP ≤ 57.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 10-[3-(1,3-benzothiazol-2-yl)phenyl]phenoxazine?
The IUPAC name of 10-[3-(1,3-benzothiazol-2-yl)phenyl]phenoxazine (CID 129148169) is 10-[3-(1,3-benzothiazol-2-yl)phenyl]phenoxazine.
What is the SMILES notation for 10-[3-(1,3-benzothiazol-2-yl)phenyl]phenoxazine?
The canonical SMILES for 10-[3-(1,3-benzothiazol-2-yl)phenyl]phenoxazine is c1cc(-c2nc3ccccc3s2)cc(N2c3ccccc3Oc3ccccc32)c1.
What is the InChIKey of 10-[3-(1,3-benzothiazol-2-yl)phenyl]phenoxazine?
The InChIKey is KDXABVFVEMDRIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16N2OS/c1-6-15-24-19(10-1)26-25(29-24)17-8-7-9-18(16-17)27-20-11-2-4-13-22(20)28-23-14-5-3-12-21(23)27/h1-16H.
What are the key properties of 10-[3-(1,3-benzothiazol-2-yl)phenyl]phenoxazine?
10-[3-(1,3-benzothiazol-2-yl)phenyl]phenoxazine has a molecular weight of 392.48 g/mol, XLogP of 7.54, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[3-(1,3-benzothiazol-2-yl)phenyl]phenoxazine is sourced from PubChem (CID 129148169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).