N-[(E)-[5-(5-bromo-2-oxoindol-3-yl)-4-hydroxy-3-prop-2-enyl-1,3-thiazol-2-ylidene]amino]-2-phenylacetamide

C22H17BrN4O3S — CID 135770094

IUPACN-[(E)-[5-(5-bromo-2-oxoindol-3-yl)-4-hydroxy-3-prop-2-enyl-1,3-thiazol-2-ylidene]amino]-2-phenylacetamide
SMILESC=CCn1c(O)c(C2=c3cc(Br)ccc3=NC2=O)s/c1=N/NC(=O)Cc1ccccc1
InChIInChI=1S/C22H17BrN4O3S/c1-2-10-27-21(30)19(18-15-12-14(23)8-9-16(15)24-20(18)29)31-22(27)26-25-17(28)11-13-6-4-3-5-7-13/h2-9,12,30H,1,10-11H2,(H,25,28)/b26-22+
InChIKeyHHRPTDOSOUCBMZ-XTCLZLMSSA-N
MW497.37 g/mol
LogP1.74
Rot. Bonds6

About N-[(E)-[5-(5-bromo-2-oxoindol-3-yl)-4-hydroxy-3-prop-2-enyl-1,3-thiazol-2-ylidene]amino]-2-phenylacetamide

N-[(E)-[5-(5-bromo-2-oxoindol-3-yl)-4-hydroxy-3-prop-2-enyl-1,3-thiazol-2-ylidene]amino]-2-phenylacetamide (PubChem CID 135770094) has the molecular formula C22H17BrN4O3S and a molecular weight of 497.37 g/mol. Its IUPAC name is N-[(E)-[5-(5-bromo-2-oxoindol-3-yl)-4-hydroxy-3-prop-2-enyl-1,3-thiazol-2-ylidene]amino]-2-phenylacetamide.

Molecular Properties

Compound NameN-[(E)-[5-(5-bromo-2-oxoindol-3-yl)-4-hydroxy-3-prop-2-enyl-1,3-thiazol-2-ylidene]amino]-2-phenylacetamide
PubChem CID135770094
Molecular FormulaC22H17BrN4O3S
Molecular Weight497.37 g/mol
Exact Mass496.02
IUPAC NameN-[(E)-[5-(5-bromo-2-oxoindol-3-yl)-4-hydroxy-3-prop-2-enyl-1,3-thiazol-2-ylidene]amino]-2-phenylacetamide
SMILESC=CCn1c(O)c(C2=c3cc(Br)ccc3=NC2=O)s/c1=N/NC(=O)Cc1ccccc1
InChIInChI=1S/C22H17BrN4O3S/c1-2-10-27-21(30)19(18-15-12-14(23)8-9-16(15)24-20(18)29)31-22(27)26-25-17(28)11-13-6-4-3-5-7-13/h2-9,12,30H,1,10-11H2,(H,25,28)/b26-22+
InChIKeyHHRPTDOSOUCBMZ-XTCLZLMSSA-N
XLogP1.74
TPSA96.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.37
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(E)-[5-(5-bromo-2-oxoindol-3-yl)-4-hydroxy-3-prop-2-enyl-1,3-thiazol-2-ylidene]amino]-2-phenylacetamide 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

(Z)-N-(4-oxo-5-(2-oxoindolin-3-ylidene)-2-thioxothiazolidin-3-yl)-2-phenylacetamide
CID 1349835
N-[(5Z)-5-(5-bromo-2-oxo-1,2-dihydro-3H-indol-3-ylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-2-phenylacetamide
CID 3721568
N-[[4-hydroxy-5-(2-oxoindol-3-yl)-3-prop-2-enyl-1,3-thiazol-2-ylidene]amino]-2-phenylacetamide
CID 5207977
N-[[4-hydroxy-5-(5-methyl-2-oxoindol-3-yl)-3-prop-2-enyl-1,3-thiazol-2-ylidene]amino]-2-phenylacetamide
CID 5207978
N-[[5-(5-bromo-2-oxoindol-3-yl)-4-hydroxy-3-prop-2-enyl-1,3-thiazol-2-ylidene]amino]-2-phenylacetamide
CID 5207979
N-[5-(5-bromo-2-oxoindol-3-yl)-4-hydroxy-2-sulfanylidene-1,3-thiazol-3-yl]-2-[4-(2-methylpropyl)phenyl]propanamide
CID 135581200
N-[5-(5-bromo-2-oxoindol-3-yl)-4-hydroxy-2-sulfanylidene-1,3-thiazol-3-yl]-2,2-diphenylacetamide
CID 135718859
N-[(E)-[4-hydroxy-5-(2-oxoindol-3-yl)-3-prop-2-enyl-1,3-thiazol-2-ylidene]amino]-2-phenylacetamide
CID 135770092
N-[(E)-[4-hydroxy-5-(5-methyl-2-oxoindol-3-yl)-3-prop-2-enyl-1,3-thiazol-2-ylidene]amino]-2-phenylacetamide
CID 135770093

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[5-(5-bromo-2-oxoindol-3-yl)-4-hydroxy-3-prop-2-enyl-1,3-thiazol-2-ylidene]amino]-2-phenylacetamide?
The IUPAC name of N-[(E)-[5-(5-bromo-2-oxoindol-3-yl)-4-hydroxy-3-prop-2-enyl-1,3-thiazol-2-ylidene]amino]-2-phenylacetamide (CID 135770094) is N-[(E)-[5-(5-bromo-2-oxoindol-3-yl)-4-hydroxy-3-prop-2-enyl-1,3-thiazol-2-ylidene]amino]-2-phenylacetamide.
What is the SMILES notation for N-[(E)-[5-(5-bromo-2-oxoindol-3-yl)-4-hydroxy-3-prop-2-enyl-1,3-thiazol-2-ylidene]amino]-2-phenylacetamide?
The canonical SMILES for N-[(E)-[5-(5-bromo-2-oxoindol-3-yl)-4-hydroxy-3-prop-2-enyl-1,3-thiazol-2-ylidene]amino]-2-phenylacetamide is C=CCn1c(O)c(C2=c3cc(Br)ccc3=NC2=O)s/c1=N/NC(=O)Cc1ccccc1.
What is the InChIKey of N-[(E)-[5-(5-bromo-2-oxoindol-3-yl)-4-hydroxy-3-prop-2-enyl-1,3-thiazol-2-ylidene]amino]-2-phenylacetamide?
The InChIKey is HHRPTDOSOUCBMZ-XTCLZLMSSA-N. The full InChI is InChI=1S/C22H17BrN4O3S/c1-2-10-27-21(30)19(18-15-12-14(23)8-9-16(15)24-20(18)29)31-22(27)26-25-17(28)11-13-6-4-3-5-7-13/h2-9,12,30H,1,10-11H2,(H,25,28)/b26-22+.
What are the key properties of N-[(E)-[5-(5-bromo-2-oxoindol-3-yl)-4-hydroxy-3-prop-2-enyl-1,3-thiazol-2-ylidene]amino]-2-phenylacetamide?
N-[(E)-[5-(5-bromo-2-oxoindol-3-yl)-4-hydroxy-3-prop-2-enyl-1,3-thiazol-2-ylidene]amino]-2-phenylacetamide has a molecular weight of 497.37 g/mol, XLogP of 1.74, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[5-(5-bromo-2-oxoindol-3-yl)-4-hydroxy-3-prop-2-enyl-1,3-thiazol-2-ylidene]amino]-2-phenylacetamide is sourced from PubChem (CID 135770094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).