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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-[4-hydroxy-5-(indol-3-ylidenemethyl)-2-oxo-1,3-thiazol-3-yl]acetyl]piperidine-4-carboxylic acid
CID 4900555
N-(3-chloro-4-methylphenyl)-2-[4-hydroxy-5-(indol-3-ylidenemethyl)-2-oxo-1,3-thiazol-3-yl]acetamide
CID 4168442
3-[4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-2-oxo-1,3-thiazol-3-yl]-N-(1-hydroxy-3-phenylpropan-2-yl)propanamide
CID 135678608
6-[4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-2-sulfanylidene-1,3-thiazol-3-yl]hexanoic acid
CID 135460372
2-[2-[16-[2-(1,3-dioxoisoindol-2-yl)acetyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]-2-oxoethyl]isoindole-1,3-dione
CID 2829028
N-benzyl-3-[4-hydroxy-5-[(E)-indol-3-ylidenemethyl]-2-sulfanylidene-1,3-thiazol-3-yl]propanamide
CID 135732693
3-(4-ethoxyanilino)-4-hydroxy-5-[(E)-indol-3-ylidenemethyl]-1,3-thiazol-2-one
CID 137262240
(2S)-2-[4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-2-sulfanylidene-1,3-thiazol-3-yl]butanoate
CID 135830604
2-[4-hydroxy-5-(indol-3-ylidenemethyl)-2-sulfanylidene-1,3-thiazol-3-yl]butanedioic acid
CID 3852208
2-[4-hydroxy-5-(indol-3-ylidenemethyl)-2-sulfanylidene-1,3-thiazol-3-yl]propanoic acid
CID 2873277
4-hydroxy-5-[(2-methylindol-3-ylidene)methyl]-3-phenacyl-1,3-thiazol-2-one
CID 137117414
4-[6-[4-hydroxy-5-[(E)-indol-3-ylidenemethyl]-2-sulfanylidene-1,3-thiazol-3-yl]hexanoylamino]butanoic acid
CID 135757156

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).