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

C36H22N4O2S — CID 129148048

IUPAC10-[3-phenoxazin-10-yl-5-([1,3]thiazolo[4,5-b]pyridin-2-yl)phenyl]phenoxazine
SMILESc1ccc2c(c1)Oc1ccccc1N2c1cc(-c2nc3ncccc3s2)cc(N2c3ccccc3Oc3ccccc32)c1
InChIInChI=1S/C36H22N4O2S/c1-5-14-30-26(10-1)39(27-11-2-6-15-31(27)41-30)24-20-23(36-38-35-34(43-36)18-9-19-37-35)21-25(22-24)40-28-12-3-7-16-32(28)42-33-17-8-4-13-29(33)40/h1-22H
InChIKeySTLUKDREYYWSOI-UHFFFAOYSA-N
MW574.67 g/mol
LogP10.51
Rot. Bonds3

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

10-[3-phenoxazin-10-yl-5-([1,3]thiazolo[4,5-b]pyridin-2-yl)phenyl]phenoxazine (PubChem CID 129148048) has the molecular formula C36H22N4O2S and a molecular weight of 574.67 g/mol. Its IUPAC name is 10-[3-phenoxazin-10-yl-5-([1,3]thiazolo[4,5-b]pyridin-2-yl)phenyl]phenoxazine.

Molecular Properties

Compound Name10-[3-phenoxazin-10-yl-5-([1,3]thiazolo[4,5-b]pyridin-2-yl)phenyl]phenoxazine
PubChem CID129148048
Molecular FormulaC36H22N4O2S
Molecular Weight574.67 g/mol
Exact Mass574.15
IUPAC Name10-[3-phenoxazin-10-yl-5-([1,3]thiazolo[4,5-b]pyridin-2-yl)phenyl]phenoxazine
SMILESc1ccc2c(c1)Oc1ccccc1N2c1cc(-c2nc3ncccc3s2)cc(N2c3ccccc3Oc3ccccc32)c1
InChIInChI=1S/C36H22N4O2S/c1-5-14-30-26(10-1)39(27-11-2-6-15-31(27)41-30)24-20-23(36-38-35-34(43-36)18-9-19-37-35)21-25(22-24)40-28-12-3-7-16-32(28)42-33-17-8-4-13-29(33)40/h1-22H
InChIKeySTLUKDREYYWSOI-UHFFFAOYSA-N
XLogP10.51
TPSA50.72 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.67
LogP ≤ 510.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

8-Fluoro-6-[5-fluoro-2-[[2-(1-methylpiperidin-4-yl)-1,3-benzothiazol-5-yl]methyl]pyrimidin-4-yl]-4-propan-2-yl-2,3-dihydro-1,4-benzoxazine
CID 167576200
2-[4-[5-[[5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]methyl]-1,3-benzothiazol-2-yl]piperidin-1-yl]-N,N-dimethylethanamine
CID 167608338
8-Fluoro-6-[5-fluoro-2-[[2-(4-methylpiperazin-1-yl)-1,3-benzothiazol-5-yl]methyl]pyrimidin-4-yl]-4-propan-2-yl-2,3-dihydro-1,4-benzoxazine
CID 167614315
8-Fluoro-6-[5-fluoro-2-[[5-(1-methylpiperidin-4-yl)-1,3-benzothiazol-2-yl]methyl]pyrimidin-4-yl]-4-propan-2-yl-2,3-dihydro-1,4-benzoxazine
CID 167650116
8-Fluoro-6-[5-fluoro-2-[[5-(4-methylpiperazin-1-yl)-1,3-benzothiazol-2-yl]methyl]pyrimidin-4-yl]-4-propan-2-yl-2,3-dihydro-1,4-benzoxazine
CID 167667132
4-[3-(2-fluorophenoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-6-methylthieno[2,3-d]pyrimidine
CID 168225226
2-((2-(3,4-dihydroisoquinolin-2(1H)-yl)thiazolo[4,5-d]pyrimidin-7-yl)thio)-1-(6-methyl-2H-benzo[b][1,4]oxazin-4(3H)-yl)ethanone
CID 49674216
10-[8-(3,6-Diphenylimidazo[4,5-b]pyridin-2-yl)-3lambda4,7-dithia-2,4-diazabicyclo[3.3.0]octa-1(8),2,3,5-tetraen-6-yl]phenoxazine
CID 10121304
4-[(2-Phenyl-1,8-naphthyridin-3-yl)oxy]thieno[2,3-d]pyrimidine
CID 23156445
2-Phenyl-7-[(2-phenyl-1,8-naphthyridin-3-yl)oxy]thieno[3,2-b]pyridine
CID 23156529
2-[4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethoxy]phenoxy]-[1,3]thiazolo[4,5-b]pyridine
CID 44478758
2-[4-[2-[4-(2-Methoxyphenyl)piperazin-1-yl]ethoxy]phenoxy]-[1,3]thiazolo[4,5-b]pyridine
CID 44479032

Frequently Asked Questions

What is the IUPAC name of 10-[3-phenoxazin-10-yl-5-([1,3]thiazolo[4,5-b]pyridin-2-yl)phenyl]phenoxazine?
The IUPAC name of 10-[3-phenoxazin-10-yl-5-([1,3]thiazolo[4,5-b]pyridin-2-yl)phenyl]phenoxazine (CID 129148048) is 10-[3-phenoxazin-10-yl-5-([1,3]thiazolo[4,5-b]pyridin-2-yl)phenyl]phenoxazine.
What is the SMILES notation for 10-[3-phenoxazin-10-yl-5-([1,3]thiazolo[4,5-b]pyridin-2-yl)phenyl]phenoxazine?
The canonical SMILES for 10-[3-phenoxazin-10-yl-5-([1,3]thiazolo[4,5-b]pyridin-2-yl)phenyl]phenoxazine is c1ccc2c(c1)Oc1ccccc1N2c1cc(-c2nc3ncccc3s2)cc(N2c3ccccc3Oc3ccccc32)c1.
What is the InChIKey of 10-[3-phenoxazin-10-yl-5-([1,3]thiazolo[4,5-b]pyridin-2-yl)phenyl]phenoxazine?
The InChIKey is STLUKDREYYWSOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H22N4O2S/c1-5-14-30-26(10-1)39(27-11-2-6-15-31(27)41-30)24-20-23(36-38-35-34(43-36)18-9-19-37-35)21-25(22-24)40-28-12-3-7-16-32(28)42-33-17-8-4-13-29(33)40/h1-22H.
What are the key properties of 10-[3-phenoxazin-10-yl-5-([1,3]thiazolo[4,5-b]pyridin-2-yl)phenyl]phenoxazine?
10-[3-phenoxazin-10-yl-5-([1,3]thiazolo[4,5-b]pyridin-2-yl)phenyl]phenoxazine has a molecular weight of 574.67 g/mol, XLogP of 10.51, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[3-phenoxazin-10-yl-5-([1,3]thiazolo[4,5-b]pyridin-2-yl)phenyl]phenoxazine is sourced from PubChem (CID 129148048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).