5-[(E)-(5-bromoindol-3-ylidene)methyl]-2-morpholin-4-yl-1,3-thiazol-4-ol

C16H14BrN3O2S — CID 137274232

IUPAC5-[(E)-(5-bromoindol-3-ylidene)methyl]-2-morpholin-4-yl-1,3-thiazol-4-ol
SMILESOc1nc(N2CCOCC2)sc1/C=C1/C=Nc2ccc(Br)cc21
InChIInChI=1S/C16H14BrN3O2S/c17-11-1-2-13-12(8-11)10(9-18-13)7-14-15(21)19-16(23-14)20-3-5-22-6-4-20/h1-2,7-9,21H,3-6H2/b10-7-
InChIKeyQVCVKSSPVRHIMX-YFHOEESVSA-N
MW392.28 g/mol
LogP3.70
Rot. Bonds2

About 5-[(E)-(5-bromoindol-3-ylidene)methyl]-2-morpholin-4-yl-1,3-thiazol-4-ol

5-[(E)-(5-bromoindol-3-ylidene)methyl]-2-morpholin-4-yl-1,3-thiazol-4-ol (PubChem CID 137274232) has the molecular formula C16H14BrN3O2S and a molecular weight of 392.28 g/mol. Its IUPAC name is 5-[(E)-(5-bromoindol-3-ylidene)methyl]-2-morpholin-4-yl-1,3-thiazol-4-ol.

Molecular Properties

Compound Name5-[(E)-(5-bromoindol-3-ylidene)methyl]-2-morpholin-4-yl-1,3-thiazol-4-ol
PubChem CID137274232
Molecular FormulaC16H14BrN3O2S
Molecular Weight392.28 g/mol
Exact Mass391.00
IUPAC Name5-[(E)-(5-bromoindol-3-ylidene)methyl]-2-morpholin-4-yl-1,3-thiazol-4-ol
SMILESOc1nc(N2CCOCC2)sc1/C=C1/C=Nc2ccc(Br)cc21
InChIInChI=1S/C16H14BrN3O2S/c17-11-1-2-13-12(8-11)10(9-18-13)7-14-15(21)19-16(23-14)20-3-5-22-6-4-20/h1-2,7-9,21H,3-6H2/b10-7-
InChIKeyQVCVKSSPVRHIMX-YFHOEESVSA-N
XLogP3.70
TPSA57.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.28
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(E)-(5-bromoindol-3-ylidene)methyl]-2-morpholin-4-yl-1,3-thiazol-4-ol?
The IUPAC name of 5-[(E)-(5-bromoindol-3-ylidene)methyl]-2-morpholin-4-yl-1,3-thiazol-4-ol (CID 137274232) is 5-[(E)-(5-bromoindol-3-ylidene)methyl]-2-morpholin-4-yl-1,3-thiazol-4-ol.
What is the SMILES notation for 5-[(E)-(5-bromoindol-3-ylidene)methyl]-2-morpholin-4-yl-1,3-thiazol-4-ol?
The canonical SMILES for 5-[(E)-(5-bromoindol-3-ylidene)methyl]-2-morpholin-4-yl-1,3-thiazol-4-ol is Oc1nc(N2CCOCC2)sc1/C=C1/C=Nc2ccc(Br)cc21.
What is the InChIKey of 5-[(E)-(5-bromoindol-3-ylidene)methyl]-2-morpholin-4-yl-1,3-thiazol-4-ol?
The InChIKey is QVCVKSSPVRHIMX-YFHOEESVSA-N. The full InChI is InChI=1S/C16H14BrN3O2S/c17-11-1-2-13-12(8-11)10(9-18-13)7-14-15(21)19-16(23-14)20-3-5-22-6-4-20/h1-2,7-9,21H,3-6H2/b10-7-.
What are the key properties of 5-[(E)-(5-bromoindol-3-ylidene)methyl]-2-morpholin-4-yl-1,3-thiazol-4-ol?
5-[(E)-(5-bromoindol-3-ylidene)methyl]-2-morpholin-4-yl-1,3-thiazol-4-ol has a molecular weight of 392.28 g/mol, XLogP of 3.70, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-(5-bromoindol-3-ylidene)methyl]-2-morpholin-4-yl-1,3-thiazol-4-ol is sourced from PubChem (CID 137274232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).