4-hydroxy-5-[(2-methylindol-3-ylidene)methyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazol-2-one

C19H19N3O3S — CID 1210777

IUPAC4-hydroxy-5-[(2-methylindol-3-ylidene)methyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazol-2-one
SMILESCC1=Nc2ccccc2C1=Cc1sc(=O)n(CC(=O)N2CCCC2)c1O
InChIInChI=1S/C19H19N3O3S/c1-12-14(13-6-2-3-7-15(13)20-12)10-16-18(24)22(19(25)26-16)11-17(23)21-8-4-5-9-21/h2-3,6-7,10,24H,4-5,8-9,11H2,1H3
InChIKeyRGBOLFMOHDURIQ-UHFFFAOYSA-N
MW369.45 g/mol
LogP2.88
Rot. Bonds3

About 4-hydroxy-5-[(2-methylindol-3-ylidene)methyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazol-2-one

4-hydroxy-5-[(2-methylindol-3-ylidene)methyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazol-2-one (PubChem CID 1210777) has the molecular formula C19H19N3O3S and a molecular weight of 369.45 g/mol. Its IUPAC name is 4-hydroxy-5-[(2-methylindol-3-ylidene)methyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-hydroxy-5-[(2-methylindol-3-ylidene)methyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazol-2-one
PubChem CID1210777
Molecular FormulaC19H19N3O3S
Molecular Weight369.45 g/mol
Exact Mass369.11
IUPAC Name4-hydroxy-5-[(2-methylindol-3-ylidene)methyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazol-2-one
SMILESCC1=Nc2ccccc2C1=Cc1sc(=O)n(CC(=O)N2CCCC2)c1O
InChIInChI=1S/C19H19N3O3S/c1-12-14(13-6-2-3-7-15(13)20-12)10-16-18(24)22(19(25)26-16)11-17(23)21-8-4-5-9-21/h2-3,6-7,10,24H,4-5,8-9,11H2,1H3
InChIKeyRGBOLFMOHDURIQ-UHFFFAOYSA-N
XLogP2.88
TPSA74.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-hydroxy-5-[(2-methylindol-3-ylidene)methyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)-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

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-[(2-methylindol-3-ylidene)methyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazol-2-one?
The IUPAC name of 4-hydroxy-5-[(2-methylindol-3-ylidene)methyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazol-2-one (CID 1210777) is 4-hydroxy-5-[(2-methylindol-3-ylidene)methyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazol-2-one.
What is the SMILES notation for 4-hydroxy-5-[(2-methylindol-3-ylidene)methyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazol-2-one?
The canonical SMILES for 4-hydroxy-5-[(2-methylindol-3-ylidene)methyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazol-2-one is CC1=Nc2ccccc2C1=Cc1sc(=O)n(CC(=O)N2CCCC2)c1O.
What is the InChIKey of 4-hydroxy-5-[(2-methylindol-3-ylidene)methyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazol-2-one?
The InChIKey is RGBOLFMOHDURIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3S/c1-12-14(13-6-2-3-7-15(13)20-12)10-16-18(24)22(19(25)26-16)11-17(23)21-8-4-5-9-21/h2-3,6-7,10,24H,4-5,8-9,11H2,1H3.
What are the key properties of 4-hydroxy-5-[(2-methylindol-3-ylidene)methyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazol-2-one?
4-hydroxy-5-[(2-methylindol-3-ylidene)methyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazol-2-one has a molecular weight of 369.45 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-[(2-methylindol-3-ylidene)methyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazol-2-one is sourced from PubChem (CID 1210777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).