5'-bromo-3-(1,3-thiazol-2-yl)spiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione

C13H8BrN3O2S2 — CID 42597824

IUPAC5'-bromo-3-(1,3-thiazol-2-yl)spiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione
SMILESO=C1CSC2(C(=O)Nc3ccc(Br)cc32)N1c1nccs1
InChIInChI=1S/C13H8BrN3O2S2/c14-7-1-2-9-8(5-7)13(11(19)16-9)17(10(18)6-21-13)12-15-3-4-20-12/h1-5H,6H2,(H,16,19)
InChIKeyQZUGZHQMTLQMEE-UHFFFAOYSA-N
MW382.26 g/mol
LogP2.79
Rot. Bonds1

About 5'-bromo-3-(1,3-thiazol-2-yl)spiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione

5'-bromo-3-(1,3-thiazol-2-yl)spiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione (PubChem CID 42597824) has the molecular formula C13H8BrN3O2S2 and a molecular weight of 382.26 g/mol. Its IUPAC name is 5'-bromo-3-(1,3-thiazol-2-yl)spiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione.

Molecular Properties

Compound Name5'-bromo-3-(1,3-thiazol-2-yl)spiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione
PubChem CID42597824
Molecular FormulaC13H8BrN3O2S2
Molecular Weight382.26 g/mol
Exact Mass380.92
IUPAC Name5'-bromo-3-(1,3-thiazol-2-yl)spiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione
SMILESO=C1CSC2(C(=O)Nc3ccc(Br)cc32)N1c1nccs1
InChIInChI=1S/C13H8BrN3O2S2/c14-7-1-2-9-8(5-7)13(11(19)16-9)17(10(18)6-21-13)12-15-3-4-20-12/h1-5H,6H2,(H,16,19)
InChIKeyQZUGZHQMTLQMEE-UHFFFAOYSA-N
XLogP2.79
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.26
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5'-bromo-3-(1,3-thiazol-2-yl)spiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione?
The IUPAC name of 5'-bromo-3-(1,3-thiazol-2-yl)spiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione (CID 42597824) is 5'-bromo-3-(1,3-thiazol-2-yl)spiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione.
What is the SMILES notation for 5'-bromo-3-(1,3-thiazol-2-yl)spiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione?
The canonical SMILES for 5'-bromo-3-(1,3-thiazol-2-yl)spiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione is O=C1CSC2(C(=O)Nc3ccc(Br)cc32)N1c1nccs1.
What is the InChIKey of 5'-bromo-3-(1,3-thiazol-2-yl)spiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione?
The InChIKey is QZUGZHQMTLQMEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrN3O2S2/c14-7-1-2-9-8(5-7)13(11(19)16-9)17(10(18)6-21-13)12-15-3-4-20-12/h1-5H,6H2,(H,16,19).
What are the key properties of 5'-bromo-3-(1,3-thiazol-2-yl)spiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione?
5'-bromo-3-(1,3-thiazol-2-yl)spiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione has a molecular weight of 382.26 g/mol, XLogP of 2.79, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5'-bromo-3-(1,3-thiazol-2-yl)spiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione is sourced from PubChem (CID 42597824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).