5-(indol-3-ylidenemethyl)-2-morpholin-4-yl-1,3-thiazol-4-ol

C16H15N3O2S — CID 917151

IUPAC5-(indol-3-ylidenemethyl)-2-morpholin-4-yl-1,3-thiazol-4-ol
SMILESOc1nc(N2CCOCC2)sc1C=C1C=Nc2ccccc21
InChIInChI=1S/C16H15N3O2S/c20-15-14(22-16(18-15)19-5-7-21-8-6-19)9-11-10-17-13-4-2-1-3-12(11)13/h1-4,9-10,20H,5-8H2
InChIKeyHHIJYVVJFOFKCD-UHFFFAOYSA-N
MW313.38 g/mol
LogP2.94
Rot. Bonds2

About 5-(indol-3-ylidenemethyl)-2-morpholin-4-yl-1,3-thiazol-4-ol

5-(indol-3-ylidenemethyl)-2-morpholin-4-yl-1,3-thiazol-4-ol (PubChem CID 917151) has the molecular formula C16H15N3O2S and a molecular weight of 313.38 g/mol. Its IUPAC name is 5-(indol-3-ylidenemethyl)-2-morpholin-4-yl-1,3-thiazol-4-ol.

Molecular Properties

Compound Name5-(indol-3-ylidenemethyl)-2-morpholin-4-yl-1,3-thiazol-4-ol
PubChem CID917151
Molecular FormulaC16H15N3O2S
Molecular Weight313.38 g/mol
Exact Mass313.09
IUPAC Name5-(indol-3-ylidenemethyl)-2-morpholin-4-yl-1,3-thiazol-4-ol
SMILESOc1nc(N2CCOCC2)sc1C=C1C=Nc2ccccc21
InChIInChI=1S/C16H15N3O2S/c20-15-14(22-16(18-15)19-5-7-21-8-6-19)9-11-10-17-13-4-2-1-3-12(11)13/h1-4,9-10,20H,5-8H2
InChIKeyHHIJYVVJFOFKCD-UHFFFAOYSA-N
XLogP2.94
TPSA57.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(indol-3-ylidenemethyl)-2-morpholin-4-yl-1,3-thiazol-4-ol?
The IUPAC name of 5-(indol-3-ylidenemethyl)-2-morpholin-4-yl-1,3-thiazol-4-ol (CID 917151) is 5-(indol-3-ylidenemethyl)-2-morpholin-4-yl-1,3-thiazol-4-ol.
What is the SMILES notation for 5-(indol-3-ylidenemethyl)-2-morpholin-4-yl-1,3-thiazol-4-ol?
The canonical SMILES for 5-(indol-3-ylidenemethyl)-2-morpholin-4-yl-1,3-thiazol-4-ol is Oc1nc(N2CCOCC2)sc1C=C1C=Nc2ccccc21.
What is the InChIKey of 5-(indol-3-ylidenemethyl)-2-morpholin-4-yl-1,3-thiazol-4-ol?
The InChIKey is HHIJYVVJFOFKCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2S/c20-15-14(22-16(18-15)19-5-7-21-8-6-19)9-11-10-17-13-4-2-1-3-12(11)13/h1-4,9-10,20H,5-8H2.
What are the key properties of 5-(indol-3-ylidenemethyl)-2-morpholin-4-yl-1,3-thiazol-4-ol?
5-(indol-3-ylidenemethyl)-2-morpholin-4-yl-1,3-thiazol-4-ol has a molecular weight of 313.38 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(indol-3-ylidenemethyl)-2-morpholin-4-yl-1,3-thiazol-4-ol is sourced from PubChem (CID 917151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).