2-acetamido-4-[2-[4-(hydrazinylmethylideneamino)phenyl]ethyl]-N-methyl-1,3-thiazole-5-carboxamide;hydrochloride

C16H21ClN6O2S — CID 87985555

IUPAC2-acetamido-4-[2-[4-(hydrazinylmethylideneamino)phenyl]ethyl]-N-methyl-1,3-thiazole-5-carboxamide;hydrochloride
SMILESCNC(=O)c1sc(NC(C)=O)nc1CCc1ccc(/N=C/NN)cc1.Cl
InChIInChI=1S/C16H20N6O2S.ClH/c1-10(23)21-16-22-13(14(25-16)15(24)18-2)8-5-11-3-6-12(7-4-11)19-9-20-17;/h3-4,6-7,9H,5,8,17H2,1-2H3,(H,18,24)(H,19,20)(H,21,22,23);1H
InChIKeyKOYHNMDFBQTNFJ-UHFFFAOYSA-N
MW396.90 g/mol
LogP1.79
Rot. Bonds7

About 2-acetamido-4-[2-[4-(hydrazinylmethylideneamino)phenyl]ethyl]-N-methyl-1,3-thiazole-5-carboxamide;hydrochloride

2-acetamido-4-[2-[4-(hydrazinylmethylideneamino)phenyl]ethyl]-N-methyl-1,3-thiazole-5-carboxamide;hydrochloride (PubChem CID 87985555) has the molecular formula C16H21ClN6O2S and a molecular weight of 396.90 g/mol. Its IUPAC name is 2-acetamido-4-[2-[4-(hydrazinylmethylideneamino)phenyl]ethyl]-N-methyl-1,3-thiazole-5-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-acetamido-4-[2-[4-(hydrazinylmethylideneamino)phenyl]ethyl]-N-methyl-1,3-thiazole-5-carboxamide;hydrochloride
PubChem CID87985555
Molecular FormulaC16H21ClN6O2S
Molecular Weight396.90 g/mol
Exact Mass396.11
IUPAC Name2-acetamido-4-[2-[4-(hydrazinylmethylideneamino)phenyl]ethyl]-N-methyl-1,3-thiazole-5-carboxamide;hydrochloride
SMILESCNC(=O)c1sc(NC(C)=O)nc1CCc1ccc(/N=C/NN)cc1.Cl
InChIInChI=1S/C16H20N6O2S.ClH/c1-10(23)21-16-22-13(14(25-16)15(24)18-2)8-5-11-3-6-12(7-4-11)19-9-20-17;/h3-4,6-7,9H,5,8,17H2,1-2H3,(H,18,24)(H,19,20)(H,21,22,23);1H
InChIKeyKOYHNMDFBQTNFJ-UHFFFAOYSA-N
XLogP1.79
TPSA121.50 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.90
LogP ≤ 51.79
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-acetamido-4-[2-[4-(hydrazinylmethylideneamino)phenyl]ethyl]-N-methyl-1,3-thiazole-5-carboxamide;hydrochloride 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

4-[[2-acetamido-4-[2-[4-(hydrazinylmethylideneamino)phenyl]ethyl]-1,3-thiazol-5-yl]methyl]-N,N-dimethylbenzamide
CID 87985613
[4-[2-[2-acetamido-5-[(4-nitrophenyl)methylcarbamoyl]-1,3-thiazol-4-yl]ethyl]phenyl]iminomethylcarbamic acid;carbamic acid
CID 173149597
(3S)-1-[[2-acetamido-4-[2-[4-(hydrazinylmethylideneamino)phenyl]ethyl]-1,3-thiazol-5-yl]methyl]-N,N-dimethylpiperidine-3-carboxamide
CID 87985606
2-acetamido-4-[2-[4-(diaminomethylideneamino)phenyl]ethyl]-N-[2-(dimethylamino)-2-oxoethylidene]-1,3-thiazole-5-carboxamide
CID 143109778
2-acetamido-4-[2-[4-(diaminomethylideneamino)phenyl]ethyl]-N-[1-(dimethylamino)-1-oxopropan-2-yl]-1,3-thiazole-5-carboxamide;propanamide
CID 142927520
N-[4-[2-[4-(diaminomethylideneamino)phenyl]ethyl]-5-(4-sulfanylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]acetamide
CID 89231747
N-[4-[2-[4-(hydrazinylmethylideneamino)phenyl]ethyl]-1,3-thiazol-2-yl]-2-methylpropanamide
CID 87985459
N-[4-[2-[4-(diaminomethylideneamino)phenyl]ethyl]-5-[(2R)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazol-2-yl]acetamide
CID 89231767
tert-butyl N-[4-[2-[2-acetamido-5-(benzylcarbamoyl)-1,3-thiazol-4-yl]ethyl]phenyl]carbamate
CID 90800307
2-[4-[2-[2-acetamido-5-[(4-methylsulfonylphenyl)methyl]-1,3-thiazol-4-yl]ethyl]phenyl]acetic acid
CID 86616200
(2R)-1-[2-acetamido-4-[2-[4-(diaminomethylideneamino)phenyl]ethyl]-1,3-thiazole-5-carbonyl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 58720277
methyl 4-[[2-acetamido-4-[2-[4-[(diaminomethylideneamino)methyl]phenyl]ethyl]-1,3-thiazol-5-yl]methyl]benzoate
CID 58659607

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-4-[2-[4-(hydrazinylmethylideneamino)phenyl]ethyl]-N-methyl-1,3-thiazole-5-carboxamide;hydrochloride?
The IUPAC name of 2-acetamido-4-[2-[4-(hydrazinylmethylideneamino)phenyl]ethyl]-N-methyl-1,3-thiazole-5-carboxamide;hydrochloride (CID 87985555) is 2-acetamido-4-[2-[4-(hydrazinylmethylideneamino)phenyl]ethyl]-N-methyl-1,3-thiazole-5-carboxamide;hydrochloride.
What is the SMILES notation for 2-acetamido-4-[2-[4-(hydrazinylmethylideneamino)phenyl]ethyl]-N-methyl-1,3-thiazole-5-carboxamide;hydrochloride?
The canonical SMILES for 2-acetamido-4-[2-[4-(hydrazinylmethylideneamino)phenyl]ethyl]-N-methyl-1,3-thiazole-5-carboxamide;hydrochloride is CNC(=O)c1sc(NC(C)=O)nc1CCc1ccc(/N=C/NN)cc1.Cl.
What is the InChIKey of 2-acetamido-4-[2-[4-(hydrazinylmethylideneamino)phenyl]ethyl]-N-methyl-1,3-thiazole-5-carboxamide;hydrochloride?
The InChIKey is KOYHNMDFBQTNFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O2S.ClH/c1-10(23)21-16-22-13(14(25-16)15(24)18-2)8-5-11-3-6-12(7-4-11)19-9-20-17;/h3-4,6-7,9H,5,8,17H2,1-2H3,(H,18,24)(H,19,20)(H,21,22,23);1H.
What are the key properties of 2-acetamido-4-[2-[4-(hydrazinylmethylideneamino)phenyl]ethyl]-N-methyl-1,3-thiazole-5-carboxamide;hydrochloride?
2-acetamido-4-[2-[4-(hydrazinylmethylideneamino)phenyl]ethyl]-N-methyl-1,3-thiazole-5-carboxamide;hydrochloride has a molecular weight of 396.90 g/mol, XLogP of 1.79, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-4-[2-[4-(hydrazinylmethylideneamino)phenyl]ethyl]-N-methyl-1,3-thiazole-5-carboxamide;hydrochloride is sourced from PubChem (CID 87985555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).