10-[4-[5-(3-phenylphenyl)-1,2,4-thiadiazol-3-yl]phenyl]phenothiazine 5,5-dioxide

C32H21N3O2S2 — CID 146533671

IUPAC10-[4-[5-(3-phenylphenyl)-1,2,4-thiadiazol-3-yl]phenyl]phenothiazine 5,5-dioxide
SMILESO=S1(=O)c2ccccc2N(c2ccc(-c3nsc(-c4cccc(-c5ccccc5)c4)n3)cc2)c2ccccc21
InChIInChI=1S/C32H21N3O2S2/c36-39(37)29-15-6-4-13-27(29)35(28-14-5-7-16-30(28)39)26-19-17-23(18-20-26)31-33-32(38-34-31)25-12-8-11-24(21-25)22-9-2-1-3-10-22/h1-21H
InChIKeyUUKZTVOQEYYUKB-UHFFFAOYSA-N
MW543.67 g/mol
LogP8.16
Rot. Bonds4

About 10-[4-[5-(3-phenylphenyl)-1,2,4-thiadiazol-3-yl]phenyl]phenothiazine 5,5-dioxide

10-[4-[5-(3-phenylphenyl)-1,2,4-thiadiazol-3-yl]phenyl]phenothiazine 5,5-dioxide (PubChem CID 146533671) has the molecular formula C32H21N3O2S2 and a molecular weight of 543.67 g/mol. Its IUPAC name is 10-[4-[5-(3-phenylphenyl)-1,2,4-thiadiazol-3-yl]phenyl]phenothiazine 5,5-dioxide.

Molecular Properties

Compound Name10-[4-[5-(3-phenylphenyl)-1,2,4-thiadiazol-3-yl]phenyl]phenothiazine 5,5-dioxide
PubChem CID146533671
Molecular FormulaC32H21N3O2S2
Molecular Weight543.67 g/mol
Exact Mass543.11
IUPAC Name10-[4-[5-(3-phenylphenyl)-1,2,4-thiadiazol-3-yl]phenyl]phenothiazine 5,5-dioxide
SMILESO=S1(=O)c2ccccc2N(c2ccc(-c3nsc(-c4cccc(-c5ccccc5)c4)n3)cc2)c2ccccc21
InChIInChI=1S/C32H21N3O2S2/c36-39(37)29-15-6-4-13-27(29)35(28-14-5-7-16-30(28)39)26-19-17-23(18-20-26)31-33-32(38-34-31)25-12-8-11-24(21-25)22-9-2-1-3-10-22/h1-21H
InChIKeyUUKZTVOQEYYUKB-UHFFFAOYSA-N
XLogP8.16
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.67
LogP ≤ 58.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

10-[6-[5-(3-phenylphenyl)-1,2,4-thiadiazol-3-yl]naphthalen-2-yl]phenothiazine 5,5-dioxide
CID 146533816
10-[4-(5-naphthalen-2-yl-1,2,4-thiadiazol-3-yl)phenyl]-3,7-diphenylphenoxazine
CID 146533940
3,5-bis[9,9-dimethyl-10-(4-phenylphenyl)acridin-2-yl]-1,2,4-thiadiazole
CID 146534120
3-[4-(9,9-dimethylacridin-10-yl)phenyl]-5-phenyl-1,2,4-thiadiazole
CID 121245061
10-[4-(5-anthracen-2-yl-1,2,4-thiadiazol-3-yl)phenyl]phenoxazine
CID 146533799
3,5-bis(9,9-dimethyl-10-phenylacridin-3-yl)-1,2,4-thiadiazole
CID 146534121
5-(3-methylphenyl)-3-phenyl-1,2,4-thiadiazole
CID 146169333
10-(4-tert-butylphenyl)-2-(5-phenyl-1,2,4-thiadiazol-3-yl)phenothiazine
CID 146533656
10-naphthalen-2-ylphenothiazine 5,5-dioxide
CID 141391078
3-(4-methylphenyl)-5-phenyl-1,2,4-thiadiazole
CID 12846883
10-[4-(5-dibenzothiophen-3-yl-1,2,4-thiadiazol-3-yl)phenyl]-3-naphthalen-2-ylphenoxazine
CID 146533946
3-naphthalen-2-yl-10-[3-[3-(3-naphthalen-1-ylphenyl)-1,2,4-thiadiazol-5-yl]phenyl]phenothiazine
CID 146533825

Frequently Asked Questions

What is the IUPAC name of 10-[4-[5-(3-phenylphenyl)-1,2,4-thiadiazol-3-yl]phenyl]phenothiazine 5,5-dioxide?
The IUPAC name of 10-[4-[5-(3-phenylphenyl)-1,2,4-thiadiazol-3-yl]phenyl]phenothiazine 5,5-dioxide (CID 146533671) is 10-[4-[5-(3-phenylphenyl)-1,2,4-thiadiazol-3-yl]phenyl]phenothiazine 5,5-dioxide.
What is the SMILES notation for 10-[4-[5-(3-phenylphenyl)-1,2,4-thiadiazol-3-yl]phenyl]phenothiazine 5,5-dioxide?
The canonical SMILES for 10-[4-[5-(3-phenylphenyl)-1,2,4-thiadiazol-3-yl]phenyl]phenothiazine 5,5-dioxide is O=S1(=O)c2ccccc2N(c2ccc(-c3nsc(-c4cccc(-c5ccccc5)c4)n3)cc2)c2ccccc21.
What is the InChIKey of 10-[4-[5-(3-phenylphenyl)-1,2,4-thiadiazol-3-yl]phenyl]phenothiazine 5,5-dioxide?
The InChIKey is UUKZTVOQEYYUKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H21N3O2S2/c36-39(37)29-15-6-4-13-27(29)35(28-14-5-7-16-30(28)39)26-19-17-23(18-20-26)31-33-32(38-34-31)25-12-8-11-24(21-25)22-9-2-1-3-10-22/h1-21H.
What are the key properties of 10-[4-[5-(3-phenylphenyl)-1,2,4-thiadiazol-3-yl]phenyl]phenothiazine 5,5-dioxide?
10-[4-[5-(3-phenylphenyl)-1,2,4-thiadiazol-3-yl]phenyl]phenothiazine 5,5-dioxide has a molecular weight of 543.67 g/mol, XLogP of 8.16, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[4-[5-(3-phenylphenyl)-1,2,4-thiadiazol-3-yl]phenyl]phenothiazine 5,5-dioxide is sourced from PubChem (CID 146533671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).