2-amino-4-methyl-N'-[1-(4-nitrophenyl)ethenyl]-1,3-thiazole-5-carbohydrazide

C13H13N5O3S — CID 3652591

IUPAC2-amino-4-methyl-N'-[1-(4-nitrophenyl)ethenyl]-1,3-thiazole-5-carbohydrazide
SMILESC=C(NNC(=O)c1sc(N)nc1C)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C13H13N5O3S/c1-7(9-3-5-10(6-4-9)18(20)21)16-17-12(19)11-8(2)15-13(14)22-11/h3-6,16H,1H2,2H3,(H2,14,15)(H,17,19)
InChIKeyGFCHUWRWKZPVTL-UHFFFAOYSA-N
MW319.35 g/mol
LogP1.85
Rot. Bonds5

About 2-amino-4-methyl-N'-[1-(4-nitrophenyl)ethenyl]-1,3-thiazole-5-carbohydrazide

2-amino-4-methyl-N'-[1-(4-nitrophenyl)ethenyl]-1,3-thiazole-5-carbohydrazide (PubChem CID 3652591) has the molecular formula C13H13N5O3S and a molecular weight of 319.35 g/mol. Its IUPAC name is 2-amino-4-methyl-N'-[1-(4-nitrophenyl)ethenyl]-1,3-thiazole-5-carbohydrazide.

Molecular Properties

Compound Name2-amino-4-methyl-N'-[1-(4-nitrophenyl)ethenyl]-1,3-thiazole-5-carbohydrazide
PubChem CID3652591
Molecular FormulaC13H13N5O3S
Molecular Weight319.35 g/mol
Exact Mass319.07
IUPAC Name2-amino-4-methyl-N'-[1-(4-nitrophenyl)ethenyl]-1,3-thiazole-5-carbohydrazide
SMILESC=C(NNC(=O)c1sc(N)nc1C)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C13H13N5O3S/c1-7(9-3-5-10(6-4-9)18(20)21)16-17-12(19)11-8(2)15-13(14)22-11/h3-6,16H,1H2,2H3,(H2,14,15)(H,17,19)
InChIKeyGFCHUWRWKZPVTL-UHFFFAOYSA-N
XLogP1.85
TPSA123.18 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.35
LogP ≤ 51.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-amino-4-methyl-N'-[1-(4-nitrophenyl)ethenyl]-1,3-thiazole-5-carbohydrazide 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-fluoro-N'-[1-(4-nitrophenyl)ethenyl]benzohydrazide
CID 3644103
2-amino-N-(3-fluoro-5-nitrophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 107335092
2-amino-N,4-dimethyl-1,3-thiazole-5-carboxamide
CID 45058673
2-amino-N-(2,5-dimethyl-4-nitrophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 103145462
2-amino-4-methyl-N-[4-(methylcarbamoyl)phenyl]-1,3-thiazole-5-carboxamide
CID 62792729
2-amino-N-(2,5-dimethylpyrrol-1-yl)-4-methyl-1,3-thiazole-5-carboxamide
CID 79101089
N-(4-bromophenyl)-4-methyl-2-[(4-nitrobenzoyl)amino]-1,3-thiazole-5-carboxamide
CID 1468154
2-amino-N-(5-bromo-2-cyanophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 107798285
N'-(4-amino-3-nitrobenzoyl)-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide
CID 46656827
2-amino-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide
CID 735558
4-[[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)hydrazinylidene]methyl]-2-nitrophenolate
CID 7894601
N'-(2,2-dimethylpropanoyl)-4-nitrobenzohydrazide
CID 4927498

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methyl-N'-[1-(4-nitrophenyl)ethenyl]-1,3-thiazole-5-carbohydrazide?
The IUPAC name of 2-amino-4-methyl-N'-[1-(4-nitrophenyl)ethenyl]-1,3-thiazole-5-carbohydrazide (CID 3652591) is 2-amino-4-methyl-N'-[1-(4-nitrophenyl)ethenyl]-1,3-thiazole-5-carbohydrazide.
What is the SMILES notation for 2-amino-4-methyl-N'-[1-(4-nitrophenyl)ethenyl]-1,3-thiazole-5-carbohydrazide?
The canonical SMILES for 2-amino-4-methyl-N'-[1-(4-nitrophenyl)ethenyl]-1,3-thiazole-5-carbohydrazide is C=C(NNC(=O)c1sc(N)nc1C)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 2-amino-4-methyl-N'-[1-(4-nitrophenyl)ethenyl]-1,3-thiazole-5-carbohydrazide?
The InChIKey is GFCHUWRWKZPVTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O3S/c1-7(9-3-5-10(6-4-9)18(20)21)16-17-12(19)11-8(2)15-13(14)22-11/h3-6,16H,1H2,2H3,(H2,14,15)(H,17,19).
What are the key properties of 2-amino-4-methyl-N'-[1-(4-nitrophenyl)ethenyl]-1,3-thiazole-5-carbohydrazide?
2-amino-4-methyl-N'-[1-(4-nitrophenyl)ethenyl]-1,3-thiazole-5-carbohydrazide has a molecular weight of 319.35 g/mol, XLogP of 1.85, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methyl-N'-[1-(4-nitrophenyl)ethenyl]-1,3-thiazole-5-carbohydrazide is sourced from PubChem (CID 3652591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).