N-(3,4-dimethylphenyl)-N-[4-[(Z)-[(4-fluorophenyl)hydrazinylidene]methyl]-1,3-thiazol-2-yl]acetamide

C20H19FN4OS — CID 9076378

IUPACN-(3,4-dimethylphenyl)-N-[4-[(Z)-[(4-fluorophenyl)hydrazinylidene]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)N(c1ccc(C)c(C)c1)c1nc(/C=N\Nc2ccc(F)cc2)cs1
InChIInChI=1S/C20H19FN4OS/c1-13-4-9-19(10-14(13)2)25(15(3)26)20-23-18(12-27-20)11-22-24-17-7-5-16(21)6-8-17/h4-12,24H,1-3H3/b22-11-
InChIKeyDUDQEIXAOBEQBF-JJFYIABZSA-N
MW382.46 g/mol
LogP5.03
Rot. Bonds5

About N-(3,4-dimethylphenyl)-N-[4-[(Z)-[(4-fluorophenyl)hydrazinylidene]methyl]-1,3-thiazol-2-yl]acetamide

N-(3,4-dimethylphenyl)-N-[4-[(Z)-[(4-fluorophenyl)hydrazinylidene]methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 9076378) has the molecular formula C20H19FN4OS and a molecular weight of 382.46 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-N-[4-[(Z)-[(4-fluorophenyl)hydrazinylidene]methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-N-[4-[(Z)-[(4-fluorophenyl)hydrazinylidene]methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID9076378
Molecular FormulaC20H19FN4OS
Molecular Weight382.46 g/mol
Exact Mass382.13
IUPAC NameN-(3,4-dimethylphenyl)-N-[4-[(Z)-[(4-fluorophenyl)hydrazinylidene]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)N(c1ccc(C)c(C)c1)c1nc(/C=N\Nc2ccc(F)cc2)cs1
InChIInChI=1S/C20H19FN4OS/c1-13-4-9-19(10-14(13)2)25(15(3)26)20-23-18(12-27-20)11-22-24-17-7-5-16(21)6-8-17/h4-12,24H,1-3H3/b22-11-
InChIKeyDUDQEIXAOBEQBF-JJFYIABZSA-N
XLogP5.03
TPSA57.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.46
LogP ≤ 55.03
H-Bond Donors ≤ 51
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'}

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Related Compounds

N-[(Z)-[2-(N-acetyl-3,4-dimethylanilino)-1,3-thiazol-4-yl]methylideneamino]-4-fluorobenzamide
CID 9016676
N-[4-[(Z)-(carbamoylhydrazinylidene)methyl]-1,3-thiazol-2-yl]-N-(3,4-dimethylphenyl)acetamide
CID 9017311
N-[(Z)-[2-(N-acetyl-3,4-dimethylanilino)-1,3-thiazol-4-yl]methylideneamino]-4-methylbenzamide
CID 9175216
N-(2,4-difluorophenyl)-N-[4-[(Z)-[(4-methylphenyl)hydrazinylidene]methyl]-1,3-thiazol-2-yl]acetamide
CID 9059425
N-[4-[(Z)-[(2,4-difluorophenyl)hydrazinylidene]methyl]-1,3-thiazol-2-yl]-N-(2,6-dimethylphenyl)acetamide
CID 9058415
N-(3,4-dimethylphenyl)-N-[4-[(Z)-[2-(4-fluorophenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]-1,3-thiazol-2-yl]acetamide
CID 46687841
N-(3,4-dimethylphenyl)-N-[4-[(Z)-[(2R,6S)-2,6-dimethylpiperidin-1-yl]iminomethyl]-1,3-thiazol-2-yl]acetamide
CID 9012573
N-(3,4-dimethylphenyl)-N-[4-[(Z)-[(2S,6S)-2,6-dimethylpiperidin-1-yl]iminomethyl]-1,3-thiazol-2-yl]acetamide
CID 11935658
N-(3,4-dimethylphenyl)-N-[4-[(E)-3-(3,4-dimethylphenyl)-3-oxoprop-1-enyl]-1,3-thiazol-2-yl]acetamide
CID 8858240
N-[4-[(Z)-[(4,6-dimethylpyrimidin-2-yl)hydrazinylidene]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide
CID 9013582
N-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(3,4-dimethylphenyl)acetamide
CID 2121621
N-[4-[(Z)-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)hydrazinylidene]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide
CID 135824097

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-N-[4-[(Z)-[(4-fluorophenyl)hydrazinylidene]methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-(3,4-dimethylphenyl)-N-[4-[(Z)-[(4-fluorophenyl)hydrazinylidene]methyl]-1,3-thiazol-2-yl]acetamide (CID 9076378) is N-(3,4-dimethylphenyl)-N-[4-[(Z)-[(4-fluorophenyl)hydrazinylidene]methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-N-[4-[(Z)-[(4-fluorophenyl)hydrazinylidene]methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-N-[4-[(Z)-[(4-fluorophenyl)hydrazinylidene]methyl]-1,3-thiazol-2-yl]acetamide is CC(=O)N(c1ccc(C)c(C)c1)c1nc(/C=N\Nc2ccc(F)cc2)cs1.
What is the InChIKey of N-(3,4-dimethylphenyl)-N-[4-[(Z)-[(4-fluorophenyl)hydrazinylidene]methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is DUDQEIXAOBEQBF-JJFYIABZSA-N. The full InChI is InChI=1S/C20H19FN4OS/c1-13-4-9-19(10-14(13)2)25(15(3)26)20-23-18(12-27-20)11-22-24-17-7-5-16(21)6-8-17/h4-12,24H,1-3H3/b22-11-.
What are the key properties of N-(3,4-dimethylphenyl)-N-[4-[(Z)-[(4-fluorophenyl)hydrazinylidene]methyl]-1,3-thiazol-2-yl]acetamide?
N-(3,4-dimethylphenyl)-N-[4-[(Z)-[(4-fluorophenyl)hydrazinylidene]methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 382.46 g/mol, XLogP of 5.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-N-[4-[(Z)-[(4-fluorophenyl)hydrazinylidene]methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 9076378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).