5-[(Z)-(5-bromoindol-3-ylidene)methyl]-4-hydroxy-3H-1,3-thiazol-2-one

C12H7BrN2O2S — CID 135504594

IUPAC5-[(Z)-(5-bromoindol-3-ylidene)methyl]-4-hydroxy-3H-1,3-thiazol-2-one
SMILESO=c1[nH]c(O)c(/C=C2\C=Nc3ccc(Br)cc32)s1
InChIInChI=1S/C12H7BrN2O2S/c13-7-1-2-9-8(4-7)6(5-14-9)3-10-11(16)15-12(17)18-10/h1-5,16H,(H,15,17)/b6-3+
InChIKeyGBBOGOMIEOYHCQ-ZZXKWVIFSA-N
MW323.17 g/mol
LogP3.16
Rot. Bonds1

About 5-[(Z)-(5-bromoindol-3-ylidene)methyl]-4-hydroxy-3H-1,3-thiazol-2-one

5-[(Z)-(5-bromoindol-3-ylidene)methyl]-4-hydroxy-3H-1,3-thiazol-2-one (PubChem CID 135504594) has the molecular formula C12H7BrN2O2S and a molecular weight of 323.17 g/mol. Its IUPAC name is 5-[(Z)-(5-bromoindol-3-ylidene)methyl]-4-hydroxy-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name5-[(Z)-(5-bromoindol-3-ylidene)methyl]-4-hydroxy-3H-1,3-thiazol-2-one
PubChem CID135504594
Molecular FormulaC12H7BrN2O2S
Molecular Weight323.17 g/mol
Exact Mass321.94
IUPAC Name5-[(Z)-(5-bromoindol-3-ylidene)methyl]-4-hydroxy-3H-1,3-thiazol-2-one
SMILESO=c1[nH]c(O)c(/C=C2\C=Nc3ccc(Br)cc32)s1
InChIInChI=1S/C12H7BrN2O2S/c13-7-1-2-9-8(4-7)6(5-14-9)3-10-11(16)15-12(17)18-10/h1-5,16H,(H,15,17)/b6-3+
InChIKeyGBBOGOMIEOYHCQ-ZZXKWVIFSA-N
XLogP3.16
TPSA65.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.17
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(5-bromo-1H-indol-3-yl)methylene]-2,4-imidazolidinedione
CID 135432788
(Z)-5-((1H-indol-3-yl)methylene)thiazolidine-2,4-dione
CID 135420896
2-[(5Z)-5-[(5-bromo-1H-indol-3-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
CID 135491009
4-[(Z)-(5-bromoindol-3-ylidene)methyl]-5-hydroxy-1,3-dihydroimidazole-2-thione
CID 135501716
(5Z)-5-[(1H-indol-3-yl)methylidene]-1,3-thiazolidine-2,4-dione
CID 1543949
(5E)-5-[(5-Bromo-1H-indol-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 135420901
3-amino-5-[(Z)-(5-bromoindol-3-ylidene)methyl]-4-hydroxy-1,3-thiazole-2-thione
CID 145952577
5-((4-Bromoanilino)methylene)-1,3-thiazolidine-2,4-dione
CID 3290479
5-((5-Bromo-1h-indol-3-yl)methylene)-3-(2,6-difluorobenzyl)thiazolidine-2,4-dione
CID 145706602
4-[(5-Bromoindol-3-ylidene)methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
CID 3292978
5-[(5-bromoindol-3-ylidene)methyl]-4-hydroxy-3H-1,3-thiazol-2-one
CID 1281647
5-[(5-bromoindol-3-ylidene)methyl]-4-hydroxy-3H-1,3-thiazole-2-thione
CID 1331075

Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-(5-bromoindol-3-ylidene)methyl]-4-hydroxy-3H-1,3-thiazol-2-one?
The IUPAC name of 5-[(Z)-(5-bromoindol-3-ylidene)methyl]-4-hydroxy-3H-1,3-thiazol-2-one (CID 135504594) is 5-[(Z)-(5-bromoindol-3-ylidene)methyl]-4-hydroxy-3H-1,3-thiazol-2-one.
What is the SMILES notation for 5-[(Z)-(5-bromoindol-3-ylidene)methyl]-4-hydroxy-3H-1,3-thiazol-2-one?
The canonical SMILES for 5-[(Z)-(5-bromoindol-3-ylidene)methyl]-4-hydroxy-3H-1,3-thiazol-2-one is O=c1[nH]c(O)c(/C=C2\C=Nc3ccc(Br)cc32)s1.
What is the InChIKey of 5-[(Z)-(5-bromoindol-3-ylidene)methyl]-4-hydroxy-3H-1,3-thiazol-2-one?
The InChIKey is GBBOGOMIEOYHCQ-ZZXKWVIFSA-N. The full InChI is InChI=1S/C12H7BrN2O2S/c13-7-1-2-9-8(4-7)6(5-14-9)3-10-11(16)15-12(17)18-10/h1-5,16H,(H,15,17)/b6-3+.
What are the key properties of 5-[(Z)-(5-bromoindol-3-ylidene)methyl]-4-hydroxy-3H-1,3-thiazol-2-one?
5-[(Z)-(5-bromoindol-3-ylidene)methyl]-4-hydroxy-3H-1,3-thiazol-2-one has a molecular weight of 323.17 g/mol, XLogP of 3.16, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-(5-bromoindol-3-ylidene)methyl]-4-hydroxy-3H-1,3-thiazol-2-one is sourced from PubChem (CID 135504594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).