5-[(Z)-(5-bromoindol-3-ylidene)methyl]-2-(2,6-dimethylmorpholin-4-yl)-1,3-thiazol-4-ol

C18H18BrN3O2S — CID 135624984

IUPAC5-[(Z)-(5-bromoindol-3-ylidene)methyl]-2-(2,6-dimethylmorpholin-4-yl)-1,3-thiazol-4-ol
SMILESCC1CN(c2nc(O)c(/C=C3\C=Nc4ccc(Br)cc43)s2)CC(C)O1
InChIInChI=1S/C18H18BrN3O2S/c1-10-8-22(9-11(2)24-10)18-21-17(23)16(25-18)5-12-7-20-15-4-3-13(19)6-14(12)15/h3-7,10-11,23H,8-9H2,1-2H3/b12-5+
InChIKeyWZZRMCVGSOHNNC-LFYBBSHMSA-N
MW420.33 g/mol
LogP4.48
Rot. Bonds2

About 5-[(Z)-(5-bromoindol-3-ylidene)methyl]-2-(2,6-dimethylmorpholin-4-yl)-1,3-thiazol-4-ol

5-[(Z)-(5-bromoindol-3-ylidene)methyl]-2-(2,6-dimethylmorpholin-4-yl)-1,3-thiazol-4-ol (PubChem CID 135624984) has the molecular formula C18H18BrN3O2S and a molecular weight of 420.33 g/mol. Its IUPAC name is 5-[(Z)-(5-bromoindol-3-ylidene)methyl]-2-(2,6-dimethylmorpholin-4-yl)-1,3-thiazol-4-ol.

Molecular Properties

Compound Name5-[(Z)-(5-bromoindol-3-ylidene)methyl]-2-(2,6-dimethylmorpholin-4-yl)-1,3-thiazol-4-ol
PubChem CID135624984
Molecular FormulaC18H18BrN3O2S
Molecular Weight420.33 g/mol
Exact Mass419.03
IUPAC Name5-[(Z)-(5-bromoindol-3-ylidene)methyl]-2-(2,6-dimethylmorpholin-4-yl)-1,3-thiazol-4-ol
SMILESCC1CN(c2nc(O)c(/C=C3\C=Nc4ccc(Br)cc43)s2)CC(C)O1
InChIInChI=1S/C18H18BrN3O2S/c1-10-8-22(9-11(2)24-10)18-21-17(23)16(25-18)5-12-7-20-15-4-3-13(19)6-14(12)15/h3-7,10-11,23H,8-9H2,1-2H3/b12-5+
InChIKeyWZZRMCVGSOHNNC-LFYBBSHMSA-N
XLogP4.48
TPSA57.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.33
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-(5-bromoindol-3-ylidene)methyl]-2-(2,6-dimethylmorpholin-4-yl)-1,3-thiazol-4-ol?
The IUPAC name of 5-[(Z)-(5-bromoindol-3-ylidene)methyl]-2-(2,6-dimethylmorpholin-4-yl)-1,3-thiazol-4-ol (CID 135624984) is 5-[(Z)-(5-bromoindol-3-ylidene)methyl]-2-(2,6-dimethylmorpholin-4-yl)-1,3-thiazol-4-ol.
What is the SMILES notation for 5-[(Z)-(5-bromoindol-3-ylidene)methyl]-2-(2,6-dimethylmorpholin-4-yl)-1,3-thiazol-4-ol?
The canonical SMILES for 5-[(Z)-(5-bromoindol-3-ylidene)methyl]-2-(2,6-dimethylmorpholin-4-yl)-1,3-thiazol-4-ol is CC1CN(c2nc(O)c(/C=C3\C=Nc4ccc(Br)cc43)s2)CC(C)O1.
What is the InChIKey of 5-[(Z)-(5-bromoindol-3-ylidene)methyl]-2-(2,6-dimethylmorpholin-4-yl)-1,3-thiazol-4-ol?
The InChIKey is WZZRMCVGSOHNNC-LFYBBSHMSA-N. The full InChI is InChI=1S/C18H18BrN3O2S/c1-10-8-22(9-11(2)24-10)18-21-17(23)16(25-18)5-12-7-20-15-4-3-13(19)6-14(12)15/h3-7,10-11,23H,8-9H2,1-2H3/b12-5+.
What are the key properties of 5-[(Z)-(5-bromoindol-3-ylidene)methyl]-2-(2,6-dimethylmorpholin-4-yl)-1,3-thiazol-4-ol?
5-[(Z)-(5-bromoindol-3-ylidene)methyl]-2-(2,6-dimethylmorpholin-4-yl)-1,3-thiazol-4-ol has a molecular weight of 420.33 g/mol, XLogP of 4.48, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-(5-bromoindol-3-ylidene)methyl]-2-(2,6-dimethylmorpholin-4-yl)-1,3-thiazol-4-ol is sourced from PubChem (CID 135624984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).