10-[3,5-bis([1,3]thiazolo[4,5-b]pyridin-2-yl)phenyl]phenoxazine

C30H17N5OS2 — CID 129148035

IUPAC10-[3,5-bis([1,3]thiazolo[4,5-b]pyridin-2-yl)phenyl]phenoxazine
SMILESc1ccc2c(c1)Oc1ccccc1N2c1cc(-c2nc3ncccc3s2)cc(-c2nc3ncccc3s2)c1
InChIInChI=1S/C30H17N5OS2/c1-3-9-23-21(7-1)35(22-8-2-4-10-24(22)36-23)20-16-18(29-33-27-25(37-29)11-5-13-31-27)15-19(17-20)30-34-28-26(38-30)12-6-14-32-28/h1-17H
InChIKeyHEPGBCSAKPRIOU-UHFFFAOYSA-N
MW527.63 g/mol
LogP8.61
Rot. Bonds3

About 10-[3,5-bis([1,3]thiazolo[4,5-b]pyridin-2-yl)phenyl]phenoxazine

10-[3,5-bis([1,3]thiazolo[4,5-b]pyridin-2-yl)phenyl]phenoxazine (PubChem CID 129148035) has the molecular formula C30H17N5OS2 and a molecular weight of 527.63 g/mol. Its IUPAC name is 10-[3,5-bis([1,3]thiazolo[4,5-b]pyridin-2-yl)phenyl]phenoxazine.

Molecular Properties

Compound Name10-[3,5-bis([1,3]thiazolo[4,5-b]pyridin-2-yl)phenyl]phenoxazine
PubChem CID129148035
Molecular FormulaC30H17N5OS2
Molecular Weight527.63 g/mol
Exact Mass527.09
IUPAC Name10-[3,5-bis([1,3]thiazolo[4,5-b]pyridin-2-yl)phenyl]phenoxazine
SMILESc1ccc2c(c1)Oc1ccccc1N2c1cc(-c2nc3ncccc3s2)cc(-c2nc3ncccc3s2)c1
InChIInChI=1S/C30H17N5OS2/c1-3-9-23-21(7-1)35(22-8-2-4-10-24(22)36-23)20-16-18(29-33-27-25(37-29)11-5-13-31-27)15-19(17-20)30-34-28-26(38-30)12-6-14-32-28/h1-17H
InChIKeyHEPGBCSAKPRIOU-UHFFFAOYSA-N
XLogP8.61
TPSA64.03 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.63
LogP ≤ 58.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 10-[3,5-bis([1,3]thiazolo[4,5-b]pyridin-2-yl)phenyl]phenoxazine?
The IUPAC name of 10-[3,5-bis([1,3]thiazolo[4,5-b]pyridin-2-yl)phenyl]phenoxazine (CID 129148035) is 10-[3,5-bis([1,3]thiazolo[4,5-b]pyridin-2-yl)phenyl]phenoxazine.
What is the SMILES notation for 10-[3,5-bis([1,3]thiazolo[4,5-b]pyridin-2-yl)phenyl]phenoxazine?
The canonical SMILES for 10-[3,5-bis([1,3]thiazolo[4,5-b]pyridin-2-yl)phenyl]phenoxazine is c1ccc2c(c1)Oc1ccccc1N2c1cc(-c2nc3ncccc3s2)cc(-c2nc3ncccc3s2)c1.
What is the InChIKey of 10-[3,5-bis([1,3]thiazolo[4,5-b]pyridin-2-yl)phenyl]phenoxazine?
The InChIKey is HEPGBCSAKPRIOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H17N5OS2/c1-3-9-23-21(7-1)35(22-8-2-4-10-24(22)36-23)20-16-18(29-33-27-25(37-29)11-5-13-31-27)15-19(17-20)30-34-28-26(38-30)12-6-14-32-28/h1-17H.
What are the key properties of 10-[3,5-bis([1,3]thiazolo[4,5-b]pyridin-2-yl)phenyl]phenoxazine?
10-[3,5-bis([1,3]thiazolo[4,5-b]pyridin-2-yl)phenyl]phenoxazine has a molecular weight of 527.63 g/mol, XLogP of 8.61, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[3,5-bis([1,3]thiazolo[4,5-b]pyridin-2-yl)phenyl]phenoxazine is sourced from PubChem (CID 129148035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).