N-[2-oxo-2-[2-[(2-phenyl-1H-indol-3-yl)methylidene]hydrazinyl]ethyl]-1,3-thiazole-4-carboxamide

C21H17N5O2S — CID 137156123

IUPACN-[2-oxo-2-[2-[(2-phenyl-1H-indol-3-yl)methylidene]hydrazinyl]ethyl]-1,3-thiazole-4-carboxamide
SMILESO=C(CNC(=O)c1cscn1)NN=Cc1c(-c2ccccc2)[nH]c2ccccc12
InChIInChI=1S/C21H17N5O2S/c27-19(11-22-21(28)18-12-29-13-23-18)26-24-10-16-15-8-4-5-9-17(15)25-20(16)14-6-2-1-3-7-14/h1-10,12-13,25H,11H2,(H,22,28)(H,26,27)
InChIKeyDOJRQQNMSNWRAR-UHFFFAOYSA-N
MW403.47 g/mol
LogP3.17
Rot. Bonds6

About N-[2-oxo-2-[2-[(2-phenyl-1H-indol-3-yl)methylidene]hydrazinyl]ethyl]-1,3-thiazole-4-carboxamide

N-[2-oxo-2-[2-[(2-phenyl-1H-indol-3-yl)methylidene]hydrazinyl]ethyl]-1,3-thiazole-4-carboxamide (PubChem CID 137156123) has the molecular formula C21H17N5O2S and a molecular weight of 403.47 g/mol. Its IUPAC name is N-[2-oxo-2-[2-[(2-phenyl-1H-indol-3-yl)methylidene]hydrazinyl]ethyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-oxo-2-[2-[(2-phenyl-1H-indol-3-yl)methylidene]hydrazinyl]ethyl]-1,3-thiazole-4-carboxamide
PubChem CID137156123
Molecular FormulaC21H17N5O2S
Molecular Weight403.47 g/mol
Exact Mass403.11
IUPAC NameN-[2-oxo-2-[2-[(2-phenyl-1H-indol-3-yl)methylidene]hydrazinyl]ethyl]-1,3-thiazole-4-carboxamide
SMILESO=C(CNC(=O)c1cscn1)NN=Cc1c(-c2ccccc2)[nH]c2ccccc12
InChIInChI=1S/C21H17N5O2S/c27-19(11-22-21(28)18-12-29-13-23-18)26-24-10-16-15-8-4-5-9-17(15)25-20(16)14-6-2-1-3-7-14/h1-10,12-13,25H,11H2,(H,22,28)(H,26,27)
InChIKeyDOJRQQNMSNWRAR-UHFFFAOYSA-N
XLogP3.17
TPSA99.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.47
LogP ≤ 53.17
H-Bond Donors ≤ 53
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 N-[2-oxo-2-[2-[(2-phenyl-1H-indol-3-yl)methylidene]hydrazinyl]ethyl]-1,3-thiazole-4-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

3-chloro-N-[2-oxo-2-[2-[(2-phenyl-1H-indol-3-yl)methylidene]hydrazinyl]ethyl]-5-(trifluoromethyl)benzamide
CID 137047797
2-(2-chlorophenoxy)-N-[(E)-(2-phenyl-1H-indol-3-yl)methylideneamino]acetamide
CID 135674723
2-(3,5-dimethylpyrazol-1-yl)-N-[(2-phenyl-1H-indol-3-yl)methylideneamino]acetamide
CID 4854849
2-[(3R)-1,1-dioxothiolan-3-yl]-N-[(E)-(2-phenyl-1H-indol-3-yl)methylideneamino]acetamide
CID 135776758
4-(4-methoxyphenyl)-4-oxo-N-[(E)-(2-phenyl-1H-indol-3-yl)methylideneamino]butanamide
CID 172948018
N-[2-oxo-2-[(2E)-2-[(5-phenyl-1H-pyrazol-4-yl)methylidene]hydrazinyl]ethyl]benzamide
CID 135425046
2-(2-oxoazepan-1-yl)-N-[(E)-(2-phenyl-1H-indol-3-yl)methylideneamino]acetamide
CID 135725807
3,4,5-trimethoxy-N-[2-[(2E)-2-[(2-methyl-1H-indol-3-yl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 135648148
N-(4-methylphenyl)-N'-[(E)-(2-phenyl-1H-indol-3-yl)methylideneamino]oxamide
CID 135785163
2-(5-methyl-2-propan-2-ylphenoxy)-N-[(E)-(2-phenyl-1H-indol-3-yl)methylideneamino]acetamide
CID 135620342
3,4-dimethoxy-N-[2-[(2E)-2-[(2-methyl-1H-indol-3-yl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 135650440
N-[2-[(2Z)-2-[(2-ethoxynaphthalen-1-yl)methylidene]hydrazinyl]-2-oxoethyl]pyridine-2-carboxamide
CID 46496021

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-[2-[(2-phenyl-1H-indol-3-yl)methylidene]hydrazinyl]ethyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[2-oxo-2-[2-[(2-phenyl-1H-indol-3-yl)methylidene]hydrazinyl]ethyl]-1,3-thiazole-4-carboxamide (CID 137156123) is N-[2-oxo-2-[2-[(2-phenyl-1H-indol-3-yl)methylidene]hydrazinyl]ethyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[2-oxo-2-[2-[(2-phenyl-1H-indol-3-yl)methylidene]hydrazinyl]ethyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[2-oxo-2-[2-[(2-phenyl-1H-indol-3-yl)methylidene]hydrazinyl]ethyl]-1,3-thiazole-4-carboxamide is O=C(CNC(=O)c1cscn1)NN=Cc1c(-c2ccccc2)[nH]c2ccccc12.
What is the InChIKey of N-[2-oxo-2-[2-[(2-phenyl-1H-indol-3-yl)methylidene]hydrazinyl]ethyl]-1,3-thiazole-4-carboxamide?
The InChIKey is DOJRQQNMSNWRAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5O2S/c27-19(11-22-21(28)18-12-29-13-23-18)26-24-10-16-15-8-4-5-9-17(15)25-20(16)14-6-2-1-3-7-14/h1-10,12-13,25H,11H2,(H,22,28)(H,26,27).
What are the key properties of N-[2-oxo-2-[2-[(2-phenyl-1H-indol-3-yl)methylidene]hydrazinyl]ethyl]-1,3-thiazole-4-carboxamide?
N-[2-oxo-2-[2-[(2-phenyl-1H-indol-3-yl)methylidene]hydrazinyl]ethyl]-1,3-thiazole-4-carboxamide has a molecular weight of 403.47 g/mol, XLogP of 3.17, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-[2-[(2-phenyl-1H-indol-3-yl)methylidene]hydrazinyl]ethyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 137156123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).