(2S,5S)-3-(3-bromophenyl)-5-methylspiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione

C17H13BrN2O2S — CID 7722521

IUPAC(2S,5S)-3-(3-bromophenyl)-5-methylspiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione
SMILESC[C@@H]1S[C@@]2(C(=O)Nc3ccccc32)N(c2cccc(Br)c2)C1=O
InChIInChI=1S/C17H13BrN2O2S/c1-10-15(21)20(12-6-4-5-11(18)9-12)17(23-10)13-7-2-3-8-14(13)19-16(17)22/h2-10H,1H3,(H,19,22)/t10-,17-/m0/s1
InChIKeyPDVILXIJQRXXNC-BTDLBPIBSA-N
MW389.27 g/mol
LogP3.72
Rot. Bonds1

About (2S,5S)-3-(3-bromophenyl)-5-methylspiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione

(2S,5S)-3-(3-bromophenyl)-5-methylspiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione (PubChem CID 7722521) has the molecular formula C17H13BrN2O2S and a molecular weight of 389.27 g/mol. Its IUPAC name is (2S,5S)-3-(3-bromophenyl)-5-methylspiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione.

Molecular Properties

Compound Name(2S,5S)-3-(3-bromophenyl)-5-methylspiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione
PubChem CID7722521
Molecular FormulaC17H13BrN2O2S
Molecular Weight389.27 g/mol
Exact Mass387.99
IUPAC Name(2S,5S)-3-(3-bromophenyl)-5-methylspiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione
SMILESC[C@@H]1S[C@@]2(C(=O)Nc3ccccc32)N(c2cccc(Br)c2)C1=O
InChIInChI=1S/C17H13BrN2O2S/c1-10-15(21)20(12-6-4-5-11(18)9-12)17(23-10)13-7-2-3-8-14(13)19-16(17)22/h2-10H,1H3,(H,19,22)/t10-,17-/m0/s1
InChIKeyPDVILXIJQRXXNC-BTDLBPIBSA-N
XLogP3.72
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.27
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,5R)-3-(3-bromophenyl)-5-methylspiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione
CID 7722274
(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
(2S,5R)-3-(3,4-dichlorophenyl)-5-methylspiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione
CID 7118279
(2R,5S)-3-(4-methoxyphenyl)-5-methylspiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione
CID 902536
(2S,5S)-3-[4-fluoro-3-(trifluoromethyl)phenyl]-5-methylspiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione
CID 100817082
5'-bromo-3-(3,4-dichlorophenyl)-5-methylspiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione
CID 102552108
(2S,5S)-5-methyl-3-[4-(trifluoromethoxy)phenyl]spiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione
CID 7322135
(2S,5R)-3-(3-bromophenyl)-1'-[(4-chlorophenyl)methyl]-5-methylspiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 42586568
5-(3-bromophenyl)-1-methylspiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-2',4,6-trione
CID 3572267
3',6'-diphenylspiro[1H-indole-3,5'-3,3a-dihydro-[1,3]thiazolo[4,5-c][1,2]oxazole]-2-one
CID 11711039
3-(3-methylphenyl)spiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione
CID 3152134

Frequently Asked Questions

What is the IUPAC name of (2S,5S)-3-(3-bromophenyl)-5-methylspiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione?
The IUPAC name of (2S,5S)-3-(3-bromophenyl)-5-methylspiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione (CID 7722521) is (2S,5S)-3-(3-bromophenyl)-5-methylspiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione.
What is the SMILES notation for (2S,5S)-3-(3-bromophenyl)-5-methylspiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione?
The canonical SMILES for (2S,5S)-3-(3-bromophenyl)-5-methylspiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione is C[C@@H]1S[C@@]2(C(=O)Nc3ccccc32)N(c2cccc(Br)c2)C1=O.
What is the InChIKey of (2S,5S)-3-(3-bromophenyl)-5-methylspiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione?
The InChIKey is PDVILXIJQRXXNC-BTDLBPIBSA-N. The full InChI is InChI=1S/C17H13BrN2O2S/c1-10-15(21)20(12-6-4-5-11(18)9-12)17(23-10)13-7-2-3-8-14(13)19-16(17)22/h2-10H,1H3,(H,19,22)/t10-,17-/m0/s1.
What are the key properties of (2S,5S)-3-(3-bromophenyl)-5-methylspiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione?
(2S,5S)-3-(3-bromophenyl)-5-methylspiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione has a molecular weight of 389.27 g/mol, XLogP of 3.72, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5S)-3-(3-bromophenyl)-5-methylspiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione is sourced from PubChem (CID 7722521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).