(3S)-5',6'-diphenylspiro[1H-indole-3,2'-imidazo[2,1-b][1,3]thiazole]-2,3'-dione

C24H15N3O2S — CID 100816888

IUPAC(3S)-5',6'-diphenylspiro[1H-indole-3,2'-imidazo[2,1-b][1,3]thiazole]-2,3'-dione
SMILESO=C1Nc2ccccc2[C@]12Sc1nc(-c3ccccc3)c(-c3ccccc3)n1C2=O
InChIInChI=1S/C24H15N3O2S/c28-21-24(17-13-7-8-14-18(17)25-21)22(29)27-20(16-11-5-2-6-12-16)19(26-23(27)30-24)15-9-3-1-4-10-15/h1-14H,(H,25,28)/t24-/m0/s1
InChIKeyJDCSZURHDZSZFO-DEOSSOPVSA-N
MW409.47 g/mol
LogP4.81
Rot. Bonds2

About (3S)-5',6'-diphenylspiro[1H-indole-3,2'-imidazo[2,1-b][1,3]thiazole]-2,3'-dione

(3S)-5',6'-diphenylspiro[1H-indole-3,2'-imidazo[2,1-b][1,3]thiazole]-2,3'-dione (PubChem CID 100816888) has the molecular formula C24H15N3O2S and a molecular weight of 409.47 g/mol. Its IUPAC name is (3S)-5',6'-diphenylspiro[1H-indole-3,2'-imidazo[2,1-b][1,3]thiazole]-2,3'-dione.

Molecular Properties

Compound Name(3S)-5',6'-diphenylspiro[1H-indole-3,2'-imidazo[2,1-b][1,3]thiazole]-2,3'-dione
PubChem CID100816888
Molecular FormulaC24H15N3O2S
Molecular Weight409.47 g/mol
Exact Mass409.09
IUPAC Name(3S)-5',6'-diphenylspiro[1H-indole-3,2'-imidazo[2,1-b][1,3]thiazole]-2,3'-dione
SMILESO=C1Nc2ccccc2[C@]12Sc1nc(-c3ccccc3)c(-c3ccccc3)n1C2=O
InChIInChI=1S/C24H15N3O2S/c28-21-24(17-13-7-8-14-18(17)25-21)22(29)27-20(16-11-5-2-6-12-16)19(26-23(27)30-24)15-9-3-1-4-10-15/h1-14H,(H,25,28)/t24-/m0/s1
InChIKeyJDCSZURHDZSZFO-DEOSSOPVSA-N
XLogP4.81
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.47
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

5',6'-diphenylspiro[1H-indole-3,2'-imidazo[2,1-b][1,3]thiazole]-2,3'-dione
CID 102552150
5,5-dimethyl-8-(3-naphthalen-2-yl-5-phenylphenyl)-1,2-diphenylimidazo[1,2-a][3,1]benzothiazine
CID 164764868
5,5-dimethyl-9-(3-naphthalen-2-yl-5-phenylphenyl)-1,2-diphenylimidazo[1,2-a][3,1]benzothiazine
CID 164764831
1,4,5-triphenyl-2-(1,4,5-triphenylimidazol-2-yl)imidazole
CID 19020129
(3S)-1',3'-diphenylspiro[1H-indole-3,4'-pyrano[3,2-d]pyrazole]-2-one
CID 172724807
3,3-bis(1-methylpyrrol-2-yl)-1H-indol-2-one
CID 86100941
3,3-dichloro-1H-indol-2-one
CID 719018
3'-(4-chlorophenyl)-5'-phenylspiro[1H-indole-3,7'-[1,3]thiazolo[3,2-a]pyrimidine]-2-one
CID 71745723
4-amino-3-[2-(4-amino-2-benzylimino-5-cyano-2'-oxospiro[1,3-thiazine-6,3'-1H-indole]-3-yl)ethyl]-2-benzylimino-2'-oxospiro[1,3-thiazine-6,3'-1H-indole]-5-carbonitrile
CID 139234623
4-naphthalen-2-yl-3-phenylspiro[1,2,4-oxadiazole-5,3'-1H-indole]-2'-one
CID 10572539
3,3-dimethyl-5-phenyl-1H-indol-2-one
CID 79018952
(3S)-3-methyl-3-phenyl-1H-indol-2-one
CID 102419408

Frequently Asked Questions

What is the IUPAC name of (3S)-5',6'-diphenylspiro[1H-indole-3,2'-imidazo[2,1-b][1,3]thiazole]-2,3'-dione?
The IUPAC name of (3S)-5',6'-diphenylspiro[1H-indole-3,2'-imidazo[2,1-b][1,3]thiazole]-2,3'-dione (CID 100816888) is (3S)-5',6'-diphenylspiro[1H-indole-3,2'-imidazo[2,1-b][1,3]thiazole]-2,3'-dione.
What is the SMILES notation for (3S)-5',6'-diphenylspiro[1H-indole-3,2'-imidazo[2,1-b][1,3]thiazole]-2,3'-dione?
The canonical SMILES for (3S)-5',6'-diphenylspiro[1H-indole-3,2'-imidazo[2,1-b][1,3]thiazole]-2,3'-dione is O=C1Nc2ccccc2[C@]12Sc1nc(-c3ccccc3)c(-c3ccccc3)n1C2=O.
What is the InChIKey of (3S)-5',6'-diphenylspiro[1H-indole-3,2'-imidazo[2,1-b][1,3]thiazole]-2,3'-dione?
The InChIKey is JDCSZURHDZSZFO-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H15N3O2S/c28-21-24(17-13-7-8-14-18(17)25-21)22(29)27-20(16-11-5-2-6-12-16)19(26-23(27)30-24)15-9-3-1-4-10-15/h1-14H,(H,25,28)/t24-/m0/s1.
What are the key properties of (3S)-5',6'-diphenylspiro[1H-indole-3,2'-imidazo[2,1-b][1,3]thiazole]-2,3'-dione?
(3S)-5',6'-diphenylspiro[1H-indole-3,2'-imidazo[2,1-b][1,3]thiazole]-2,3'-dione has a molecular weight of 409.47 g/mol, XLogP of 4.81, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-5',6'-diphenylspiro[1H-indole-3,2'-imidazo[2,1-b][1,3]thiazole]-2,3'-dione is sourced from PubChem (CID 100816888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).