N-[2-ethenyl-3-hydrazinyl-5-(1H-indol-4-yl)phenyl]-2-[(3-phenylmethoxypiperidin-1-yl)methyl]-1,3-thiazole-4-carboxamide

C33H34N6O2S — CID 89122390

IUPACN-[2-ethenyl-3-hydrazinyl-5-(1H-indol-4-yl)phenyl]-2-[(3-phenylmethoxypiperidin-1-yl)methyl]-1,3-thiazole-4-carboxamide
SMILESC=Cc1c(NN)cc(-c2cccc3[nH]ccc23)cc1NC(=O)c1csc(CN2CCCC(OCc3ccccc3)C2)n1
InChIInChI=1S/C33H34N6O2S/c1-2-25-29(16-23(17-30(25)38-34)26-11-6-12-28-27(26)13-14-35-28)37-33(40)31-21-42-32(36-31)19-39-15-7-10-24(18-39)41-20-22-8-4-3-5-9-22/h2-6,8-9,11-14,16-17,21,24,35,38H,1,7,10,15,18-20,34H2,(H,37,40)
InChIKeySWTXPDRVJPJFGT-UHFFFAOYSA-N
MW578.74 g/mol
LogP6.65
Rot. Bonds10

About N-[2-ethenyl-3-hydrazinyl-5-(1H-indol-4-yl)phenyl]-2-[(3-phenylmethoxypiperidin-1-yl)methyl]-1,3-thiazole-4-carboxamide

N-[2-ethenyl-3-hydrazinyl-5-(1H-indol-4-yl)phenyl]-2-[(3-phenylmethoxypiperidin-1-yl)methyl]-1,3-thiazole-4-carboxamide (PubChem CID 89122390) has the molecular formula C33H34N6O2S and a molecular weight of 578.74 g/mol. Its IUPAC name is N-[2-ethenyl-3-hydrazinyl-5-(1H-indol-4-yl)phenyl]-2-[(3-phenylmethoxypiperidin-1-yl)methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-ethenyl-3-hydrazinyl-5-(1H-indol-4-yl)phenyl]-2-[(3-phenylmethoxypiperidin-1-yl)methyl]-1,3-thiazole-4-carboxamide
PubChem CID89122390
Molecular FormulaC33H34N6O2S
Molecular Weight578.74 g/mol
Exact Mass578.25
IUPAC NameN-[2-ethenyl-3-hydrazinyl-5-(1H-indol-4-yl)phenyl]-2-[(3-phenylmethoxypiperidin-1-yl)methyl]-1,3-thiazole-4-carboxamide
SMILESC=Cc1c(NN)cc(-c2cccc3[nH]ccc23)cc1NC(=O)c1csc(CN2CCCC(OCc3ccccc3)C2)n1
InChIInChI=1S/C33H34N6O2S/c1-2-25-29(16-23(17-30(25)38-34)26-11-6-12-28-27(26)13-14-35-28)37-33(40)31-21-42-32(36-31)19-39-15-7-10-24(18-39)41-20-22-8-4-3-5-9-22/h2-6,8-9,11-14,16-17,21,24,35,38H,1,7,10,15,18-20,34H2,(H,37,40)
InChIKeySWTXPDRVJPJFGT-UHFFFAOYSA-N
XLogP6.65
TPSA108.30 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500578.74
LogP ≤ 56.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-[2-ethenyl-3-hydrazinyl-5-(1H-indol-4-yl)phenyl]-2-[(3-phenylmethoxypiperidin-1-yl)methyl]-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

N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-2-[[4-(2-morpholin-4-ylethyl)piperazin-1-yl]methyl]-1,3-thiazole-4-carboxamide
CID 58356325
formic acid;N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-2-[(4-pentan-3-ylpiperazin-1-yl)methyl]-1,3-thiazole-4-carboxamide
CID 158088924
N-[3-(cyclohexyloxymethyl)phenyl]-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide
CID 86849988
N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-6-[[4-(2-methylpropyl)piperazin-1-yl]methyl]pyridine-2-carboxamide
CID 44540137
6-[(4,4-dimethylpiperidin-1-yl)methyl]-N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]pyridine-2-carboxamide
CID 44540140
(3Z,5Z)-6-amino-N-[3-amino-2-ethenyl-5-(1H-indol-4-yl)phenyl]-7-(3,3-dimethylpiperidin-1-yl)-2-methylidenehepta-3,5-dienamide
CID 89119966
N-[(3S)-1-benzylpyrrolidin-3-yl]-2-propyl-1,3-thiazole-4-carboxamide
CID 72893525
2-[(4-benzylpiperazin-1-yl)methyl]-N-butan-2-yl-1,3-thiazole-4-carboxamide
CID 46056114
N-[3-amino-2-methanimidoyl-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]-2-(chloromethyl)-1,3-thiazole-4-carboxamide
CID 143903868
2-[(4-benzylpiperidin-1-yl)methyl]-N-ethyl-1,3-thiazole-4-carboxamide
CID 46043708
2-(aminomethyl)-N-(1-benzylpiperidin-3-yl)-N-propyl-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119857615
N-[6-[5-(methanesulfonamido)-6-methoxy-3-pyridinyl]-1H-indazol-4-yl]-2-(piperidin-1-ylmethyl)-1,3-thiazole-4-carboxamide
CID 44540863

Frequently Asked Questions

What is the IUPAC name of N-[2-ethenyl-3-hydrazinyl-5-(1H-indol-4-yl)phenyl]-2-[(3-phenylmethoxypiperidin-1-yl)methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[2-ethenyl-3-hydrazinyl-5-(1H-indol-4-yl)phenyl]-2-[(3-phenylmethoxypiperidin-1-yl)methyl]-1,3-thiazole-4-carboxamide (CID 89122390) is N-[2-ethenyl-3-hydrazinyl-5-(1H-indol-4-yl)phenyl]-2-[(3-phenylmethoxypiperidin-1-yl)methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[2-ethenyl-3-hydrazinyl-5-(1H-indol-4-yl)phenyl]-2-[(3-phenylmethoxypiperidin-1-yl)methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[2-ethenyl-3-hydrazinyl-5-(1H-indol-4-yl)phenyl]-2-[(3-phenylmethoxypiperidin-1-yl)methyl]-1,3-thiazole-4-carboxamide is C=Cc1c(NN)cc(-c2cccc3[nH]ccc23)cc1NC(=O)c1csc(CN2CCCC(OCc3ccccc3)C2)n1.
What is the InChIKey of N-[2-ethenyl-3-hydrazinyl-5-(1H-indol-4-yl)phenyl]-2-[(3-phenylmethoxypiperidin-1-yl)methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is SWTXPDRVJPJFGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H34N6O2S/c1-2-25-29(16-23(17-30(25)38-34)26-11-6-12-28-27(26)13-14-35-28)37-33(40)31-21-42-32(36-31)19-39-15-7-10-24(18-39)41-20-22-8-4-3-5-9-22/h2-6,8-9,11-14,16-17,21,24,35,38H,1,7,10,15,18-20,34H2,(H,37,40).
What are the key properties of N-[2-ethenyl-3-hydrazinyl-5-(1H-indol-4-yl)phenyl]-2-[(3-phenylmethoxypiperidin-1-yl)methyl]-1,3-thiazole-4-carboxamide?
N-[2-ethenyl-3-hydrazinyl-5-(1H-indol-4-yl)phenyl]-2-[(3-phenylmethoxypiperidin-1-yl)methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 578.74 g/mol, XLogP of 6.65, 10 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-ethenyl-3-hydrazinyl-5-(1H-indol-4-yl)phenyl]-2-[(3-phenylmethoxypiperidin-1-yl)methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 89122390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).