3',6'-diphenylspiro[1H-indole-3,5'-3,3a-dihydro-[1,3]thiazolo[4,5-c][1,2]oxazole]-2-one

C23H17N3O2S — CID 11711039

IUPAC3',6'-diphenylspiro[1H-indole-3,5'-3,3a-dihydro-[1,3]thiazolo[4,5-c][1,2]oxazole]-2-one
SMILESO=C1Nc2ccccc2C12SC1C(=NOC1c1ccccc1)N2c1ccccc1
InChIInChI=1S/C23H17N3O2S/c27-22-23(17-13-7-8-14-18(17)24-22)26(16-11-5-2-6-12-16)21-20(29-23)19(28-25-21)15-9-3-1-4-10-15/h1-14,19-20H,(H,24,27)
InChIKeyJFWRYYJPJRVENW-UHFFFAOYSA-N
MW399.48 g/mol
LogP4.50
Rot. Bonds2

About 3',6'-diphenylspiro[1H-indole-3,5'-3,3a-dihydro-[1,3]thiazolo[4,5-c][1,2]oxazole]-2-one

3',6'-diphenylspiro[1H-indole-3,5'-3,3a-dihydro-[1,3]thiazolo[4,5-c][1,2]oxazole]-2-one (PubChem CID 11711039) has the molecular formula C23H17N3O2S and a molecular weight of 399.48 g/mol. Its IUPAC name is 3',6'-diphenylspiro[1H-indole-3,5'-3,3a-dihydro-[1,3]thiazolo[4,5-c][1,2]oxazole]-2-one.

Molecular Properties

Compound Name3',6'-diphenylspiro[1H-indole-3,5'-3,3a-dihydro-[1,3]thiazolo[4,5-c][1,2]oxazole]-2-one
PubChem CID11711039
Molecular FormulaC23H17N3O2S
Molecular Weight399.48 g/mol
Exact Mass399.10
IUPAC Name3',6'-diphenylspiro[1H-indole-3,5'-3,3a-dihydro-[1,3]thiazolo[4,5-c][1,2]oxazole]-2-one
SMILESO=C1Nc2ccccc2C12SC1C(=NOC1c1ccccc1)N2c1ccccc1
InChIInChI=1S/C23H17N3O2S/c27-22-23(17-13-7-8-14-18(17)24-22)26(16-11-5-2-6-12-16)21-20(29-23)19(28-25-21)15-9-3-1-4-10-15/h1-14,19-20H,(H,24,27)
InChIKeyJFWRYYJPJRVENW-UHFFFAOYSA-N
XLogP4.50
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.48
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3'-(4-chlorophenyl)-6'-(2-nitrophenyl)spiro[1H-indole-3,5'-3,3a-dihydro-[1,3]thiazolo[4,5-c][1,2]oxazole]-2-one
CID 11591069
3'-(2-hydroxyphenyl)-6'-(2-methoxyphenyl)spiro[1H-indole-3,5'-3,3a-dihydro-[1,3]thiazolo[4,5-c][1,2]oxazole]-2-one
CID 11612029
(2S,5R)-3-(3,4-dichlorophenyl)-5-methylspiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione
CID 7118279
(2S,5S)-3-(3-bromophenyl)-5-methylspiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione
CID 7722521
(2R,5R)-3-(3-bromophenyl)-5-methylspiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione
CID 7722274
(2R,5S)-3-(4-methoxyphenyl)-5-methylspiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione
CID 902536
(2R,5R)-3-(3,5-dichlorophenyl)-5-methylspiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione
CID 7218142
3-(3,5-dichlorophenyl)-5-methylspiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione
CID 2732551
6'-(4-chlorophenyl)-3'-(4-nitrophenyl)spiro[1H-indole-3,5'-3,3a-dihydro-2H-pyrazolo[3,4-d][1,3]thiazole]-2-one
CID 16745288
(2S,5S)-5-methyl-3-[4-(trifluoromethoxy)phenyl]spiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione
CID 7322135
(2S,5S)-3-[4-fluoro-3-(trifluoromethyl)phenyl]-5-methylspiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione
CID 100817082
3-phenylspiro[1,3,4-thiadiazinane-2,3'-1H-indole]-2',5-dione
CID 4681651

Frequently Asked Questions

What is the IUPAC name of 3',6'-diphenylspiro[1H-indole-3,5'-3,3a-dihydro-[1,3]thiazolo[4,5-c][1,2]oxazole]-2-one?
The IUPAC name of 3',6'-diphenylspiro[1H-indole-3,5'-3,3a-dihydro-[1,3]thiazolo[4,5-c][1,2]oxazole]-2-one (CID 11711039) is 3',6'-diphenylspiro[1H-indole-3,5'-3,3a-dihydro-[1,3]thiazolo[4,5-c][1,2]oxazole]-2-one.
What is the SMILES notation for 3',6'-diphenylspiro[1H-indole-3,5'-3,3a-dihydro-[1,3]thiazolo[4,5-c][1,2]oxazole]-2-one?
The canonical SMILES for 3',6'-diphenylspiro[1H-indole-3,5'-3,3a-dihydro-[1,3]thiazolo[4,5-c][1,2]oxazole]-2-one is O=C1Nc2ccccc2C12SC1C(=NOC1c1ccccc1)N2c1ccccc1.
What is the InChIKey of 3',6'-diphenylspiro[1H-indole-3,5'-3,3a-dihydro-[1,3]thiazolo[4,5-c][1,2]oxazole]-2-one?
The InChIKey is JFWRYYJPJRVENW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N3O2S/c27-22-23(17-13-7-8-14-18(17)24-22)26(16-11-5-2-6-12-16)21-20(29-23)19(28-25-21)15-9-3-1-4-10-15/h1-14,19-20H,(H,24,27).
What are the key properties of 3',6'-diphenylspiro[1H-indole-3,5'-3,3a-dihydro-[1,3]thiazolo[4,5-c][1,2]oxazole]-2-one?
3',6'-diphenylspiro[1H-indole-3,5'-3,3a-dihydro-[1,3]thiazolo[4,5-c][1,2]oxazole]-2-one has a molecular weight of 399.48 g/mol, XLogP of 4.50, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3',6'-diphenylspiro[1H-indole-3,5'-3,3a-dihydro-[1,3]thiazolo[4,5-c][1,2]oxazole]-2-one is sourced from PubChem (CID 11711039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).