4-methyl-N-[(E)-1-(2-oxo-1,3-dihydroindol-5-yl)ethylideneamino]-2-phenyl-1,3-thiazole-5-carboxamide

C21H18N4O2S — CID 97002830

IUPAC4-methyl-N-[(E)-1-(2-oxo-1,3-dihydroindol-5-yl)ethylideneamino]-2-phenyl-1,3-thiazole-5-carboxamide
SMILESC/C(=N\NC(=O)c1sc(-c2ccccc2)nc1C)c1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C21H18N4O2S/c1-12(15-8-9-17-16(10-15)11-18(26)23-17)24-25-20(27)19-13(2)22-21(28-19)14-6-4-3-5-7-14/h3-10H,11H2,1-2H3,(H,23,26)(H,25,27)/b24-12+
InChIKeyLMMSYENNOXSMFU-WYMPLXKRSA-N
MW390.47 g/mol
LogP3.77
Rot. Bonds4

About 4-methyl-N-[(E)-1-(2-oxo-1,3-dihydroindol-5-yl)ethylideneamino]-2-phenyl-1,3-thiazole-5-carboxamide

4-methyl-N-[(E)-1-(2-oxo-1,3-dihydroindol-5-yl)ethylideneamino]-2-phenyl-1,3-thiazole-5-carboxamide (PubChem CID 97002830) has the molecular formula C21H18N4O2S and a molecular weight of 390.47 g/mol. Its IUPAC name is 4-methyl-N-[(E)-1-(2-oxo-1,3-dihydroindol-5-yl)ethylideneamino]-2-phenyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[(E)-1-(2-oxo-1,3-dihydroindol-5-yl)ethylideneamino]-2-phenyl-1,3-thiazole-5-carboxamide
PubChem CID97002830
Molecular FormulaC21H18N4O2S
Molecular Weight390.47 g/mol
Exact Mass390.12
IUPAC Name4-methyl-N-[(E)-1-(2-oxo-1,3-dihydroindol-5-yl)ethylideneamino]-2-phenyl-1,3-thiazole-5-carboxamide
SMILESC/C(=N\NC(=O)c1sc(-c2ccccc2)nc1C)c1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C21H18N4O2S/c1-12(15-8-9-17-16(10-15)11-18(26)23-17)24-25-20(27)19-13(2)22-21(28-19)14-6-4-3-5-7-14/h3-10H,11H2,1-2H3,(H,23,26)(H,25,27)/b24-12+
InChIKeyLMMSYENNOXSMFU-WYMPLXKRSA-N
XLogP3.77
TPSA83.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.47
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-methyl-N-[(E)-1-(2-oxo-1,3-dihydroindol-5-yl)ethylideneamino]-2-phenyl-1,3-thiazole-5-carboxamide 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

2-amino-4-methyl-N-[(Z)-1-(4-phenylphenyl)ethylideneamino]-1,3-thiazole-5-carboxamide
CID 20997820
2-[(2E)-2-[1-(2-oxo-1,3-dihydroindol-5-yl)ethylidene]hydrazinyl]benzoic acid
CID 95976036
N'-(2,3-dihydro-1H-indene-5-carbonyl)-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide
CID 9011381
4-methyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)-2-phenyl-1,3-thiazole-5-carboxamide
CID 51207749
[(E)-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethylideneamino]thiourea
CID 14612310
N-(2-hydroxyphenyl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 46666287
2-(3,4-dimethylphenoxy)-N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethylideneamino]acetamide
CID 71893960
N'-(4-bromobenzoyl)-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide
CID 25439398
N-(4-acetamidobutyl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 110356793
4-methyl-2-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carbonyl)amino]-N-phenyl-1,3-thiazole-5-carboxamide
CID 108784552
[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 46827513
4-(methylamino)-5-oxo-5-(2-oxo-1,3-dihydroindol-5-yl)pentanoic acid
CID 82349945

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(E)-1-(2-oxo-1,3-dihydroindol-5-yl)ethylideneamino]-2-phenyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-[(E)-1-(2-oxo-1,3-dihydroindol-5-yl)ethylideneamino]-2-phenyl-1,3-thiazole-5-carboxamide (CID 97002830) is 4-methyl-N-[(E)-1-(2-oxo-1,3-dihydroindol-5-yl)ethylideneamino]-2-phenyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-[(E)-1-(2-oxo-1,3-dihydroindol-5-yl)ethylideneamino]-2-phenyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-[(E)-1-(2-oxo-1,3-dihydroindol-5-yl)ethylideneamino]-2-phenyl-1,3-thiazole-5-carboxamide is C/C(=N\NC(=O)c1sc(-c2ccccc2)nc1C)c1ccc2c(c1)CC(=O)N2.
What is the InChIKey of 4-methyl-N-[(E)-1-(2-oxo-1,3-dihydroindol-5-yl)ethylideneamino]-2-phenyl-1,3-thiazole-5-carboxamide?
The InChIKey is LMMSYENNOXSMFU-WYMPLXKRSA-N. The full InChI is InChI=1S/C21H18N4O2S/c1-12(15-8-9-17-16(10-15)11-18(26)23-17)24-25-20(27)19-13(2)22-21(28-19)14-6-4-3-5-7-14/h3-10H,11H2,1-2H3,(H,23,26)(H,25,27)/b24-12+.
What are the key properties of 4-methyl-N-[(E)-1-(2-oxo-1,3-dihydroindol-5-yl)ethylideneamino]-2-phenyl-1,3-thiazole-5-carboxamide?
4-methyl-N-[(E)-1-(2-oxo-1,3-dihydroindol-5-yl)ethylideneamino]-2-phenyl-1,3-thiazole-5-carboxamide has a molecular weight of 390.47 g/mol, XLogP of 3.77, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(E)-1-(2-oxo-1,3-dihydroindol-5-yl)ethylideneamino]-2-phenyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 97002830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).