4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-3-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazol-2-one

C18H17N3O4S — CID 135460586

IUPAC4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-3-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazol-2-one
SMILESO=C(Cn1c(O)c(/C=C2\C=Nc3ccccc32)sc1=O)N1CCOCC1
InChIInChI=1S/C18H17N3O4S/c22-16(20-5-7-25-8-6-20)11-21-17(23)15(26-18(21)24)9-12-10-19-14-4-2-1-3-13(12)14/h1-4,9-10,23H,5-8,11H2/b12-9+
InChIKeyMYRVOWZJHBIVMI-FMIVXFBMSA-N
MW371.42 g/mol
LogP1.73
Rot. Bonds3

About 4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-3-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazol-2-one

4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-3-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazol-2-one (PubChem CID 135460586) has the molecular formula C18H17N3O4S and a molecular weight of 371.42 g/mol. Its IUPAC name is 4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-3-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-3-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazol-2-one
PubChem CID135460586
Molecular FormulaC18H17N3O4S
Molecular Weight371.42 g/mol
Exact Mass371.09
IUPAC Name4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-3-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazol-2-one
SMILESO=C(Cn1c(O)c(/C=C2\C=Nc3ccccc32)sc1=O)N1CCOCC1
InChIInChI=1S/C18H17N3O4S/c22-16(20-5-7-25-8-6-20)11-21-17(23)15(26-18(21)24)9-12-10-19-14-4-2-1-3-13(12)14/h1-4,9-10,23H,5-8,11H2/b12-9+
InChIKeyMYRVOWZJHBIVMI-FMIVXFBMSA-N
XLogP1.73
TPSA84.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.42
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-3-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazol-2-one?
The IUPAC name of 4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-3-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazol-2-one (CID 135460586) is 4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-3-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazol-2-one.
What is the SMILES notation for 4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-3-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazol-2-one?
The canonical SMILES for 4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-3-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazol-2-one is O=C(Cn1c(O)c(/C=C2\C=Nc3ccccc32)sc1=O)N1CCOCC1.
What is the InChIKey of 4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-3-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazol-2-one?
The InChIKey is MYRVOWZJHBIVMI-FMIVXFBMSA-N. The full InChI is InChI=1S/C18H17N3O4S/c22-16(20-5-7-25-8-6-20)11-21-17(23)15(26-18(21)24)9-12-10-19-14-4-2-1-3-13(12)14/h1-4,9-10,23H,5-8,11H2/b12-9+.
What are the key properties of 4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-3-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazol-2-one?
4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-3-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazol-2-one has a molecular weight of 371.42 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-3-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazol-2-one is sourced from PubChem (CID 135460586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).