5-bromo-3-[(2E)-4-hydroxy-3-methyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazol-5-yl]indol-2-one

C15H9BrN4O2S2 — CID 135711527

IUPAC5-bromo-3-[(2E)-4-hydroxy-3-methyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazol-5-yl]indol-2-one
SMILESCn1c(O)c(C2=c3cc(Br)ccc3=NC2=O)s/c1=N/c1nccs1
InChIInChI=1S/C15H9BrN4O2S2/c1-20-13(22)11(24-15(20)19-14-17-4-5-23-14)10-8-6-7(16)2-3-9(8)18-12(10)21/h2-6,22H,1H3/b19-15+
InChIKeyKRURWVYKHPDINA-XDJHFCHBSA-N
MW421.30 g/mol
LogP1.60
Rot. Bonds2

About 5-bromo-3-[(2E)-4-hydroxy-3-methyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazol-5-yl]indol-2-one

5-bromo-3-[(2E)-4-hydroxy-3-methyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazol-5-yl]indol-2-one (PubChem CID 135711527) has the molecular formula C15H9BrN4O2S2 and a molecular weight of 421.30 g/mol. Its IUPAC name is 5-bromo-3-[(2E)-4-hydroxy-3-methyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazol-5-yl]indol-2-one.

Molecular Properties

Compound Name5-bromo-3-[(2E)-4-hydroxy-3-methyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazol-5-yl]indol-2-one
PubChem CID135711527
Molecular FormulaC15H9BrN4O2S2
Molecular Weight421.30 g/mol
Exact Mass419.94
IUPAC Name5-bromo-3-[(2E)-4-hydroxy-3-methyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazol-5-yl]indol-2-one
SMILESCn1c(O)c(C2=c3cc(Br)ccc3=NC2=O)s/c1=N/c1nccs1
InChIInChI=1S/C15H9BrN4O2S2/c1-20-13(22)11(24-15(20)19-14-17-4-5-23-14)10-8-6-7(16)2-3-9(8)18-12(10)21/h2-6,22H,1H3/b19-15+
InChIKeyKRURWVYKHPDINA-XDJHFCHBSA-N
XLogP1.60
TPSA79.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.30
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-[(2E)-4-hydroxy-3-methyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazol-5-yl]indol-2-one?
The IUPAC name of 5-bromo-3-[(2E)-4-hydroxy-3-methyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazol-5-yl]indol-2-one (CID 135711527) is 5-bromo-3-[(2E)-4-hydroxy-3-methyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazol-5-yl]indol-2-one.
What is the SMILES notation for 5-bromo-3-[(2E)-4-hydroxy-3-methyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazol-5-yl]indol-2-one?
The canonical SMILES for 5-bromo-3-[(2E)-4-hydroxy-3-methyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazol-5-yl]indol-2-one is Cn1c(O)c(C2=c3cc(Br)ccc3=NC2=O)s/c1=N/c1nccs1.
What is the InChIKey of 5-bromo-3-[(2E)-4-hydroxy-3-methyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazol-5-yl]indol-2-one?
The InChIKey is KRURWVYKHPDINA-XDJHFCHBSA-N. The full InChI is InChI=1S/C15H9BrN4O2S2/c1-20-13(22)11(24-15(20)19-14-17-4-5-23-14)10-8-6-7(16)2-3-9(8)18-12(10)21/h2-6,22H,1H3/b19-15+.
What are the key properties of 5-bromo-3-[(2E)-4-hydroxy-3-methyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazol-5-yl]indol-2-one?
5-bromo-3-[(2E)-4-hydroxy-3-methyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazol-5-yl]indol-2-one has a molecular weight of 421.30 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-[(2E)-4-hydroxy-3-methyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazol-5-yl]indol-2-one is sourced from PubChem (CID 135711527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).