N-[2-[2-[(3-chlorophenyl)methylidene]hydrazinyl]-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide

C19H17ClN4OS — CID 3722954

IUPACN-[2-[2-[(3-chlorophenyl)methylidene]hydrazinyl]-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide
SMILESCC(=O)Nc1sc(NN=Cc2cccc(Cl)c2)nc1-c1ccc(C)cc1
InChIInChI=1S/C19H17ClN4OS/c1-12-6-8-15(9-7-12)17-18(22-13(2)25)26-19(23-17)24-21-11-14-4-3-5-16(20)10-14/h3-11H,1-2H3,(H,22,25)(H,23,24)
InChIKeyCHFQEMZTNAZKJV-UHFFFAOYSA-N
MW384.89 g/mol
LogP5.18
Rot. Bonds5

About N-[2-[2-[(3-chlorophenyl)methylidene]hydrazinyl]-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide

N-[2-[2-[(3-chlorophenyl)methylidene]hydrazinyl]-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide (PubChem CID 3722954) has the molecular formula C19H17ClN4OS and a molecular weight of 384.89 g/mol. Its IUPAC name is N-[2-[2-[(3-chlorophenyl)methylidene]hydrazinyl]-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide.

Molecular Properties

Compound NameN-[2-[2-[(3-chlorophenyl)methylidene]hydrazinyl]-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide
PubChem CID3722954
Molecular FormulaC19H17ClN4OS
Molecular Weight384.89 g/mol
Exact Mass384.08
IUPAC NameN-[2-[2-[(3-chlorophenyl)methylidene]hydrazinyl]-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide
SMILESCC(=O)Nc1sc(NN=Cc2cccc(Cl)c2)nc1-c1ccc(C)cc1
InChIInChI=1S/C19H17ClN4OS/c1-12-6-8-15(9-7-12)17-18(22-13(2)25)26-19(23-17)24-21-11-14-4-3-5-16(20)10-14/h3-11H,1-2H3,(H,22,25)(H,23,24)
InChIKeyCHFQEMZTNAZKJV-UHFFFAOYSA-N
XLogP5.18
TPSA66.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.89
LogP ≤ 55.18
H-Bond Donors ≤ 52
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-[2-[2-[(3-chlorophenyl)methylidene]hydrazinyl]-4-thiophen-2-yl-1,3-thiazol-5-yl]acetamide
CID 4680101
N-[2-[(2Z)-2-[(4-tert-butylphenyl)methylidene]hydrazinyl]-4-(4-methylphenyl)-1,3-thiazol-5-yl]-2-phenylacetamide
CID 27350378
N-[2-[(2E)-2-[(4-tert-butylphenyl)methylidene]hydrazinyl]-4-(4-methylphenyl)-1,3-thiazol-5-yl]furan-2-carboxamide
CID 44615171
4-fluoro-N-[4-(4-fluorophenyl)-2-[2-[(3-nitrophenyl)methylidene]hydrazinyl]-1,3-thiazol-5-yl]benzamide
CID 3786078
4-chloro-N-[2-[(2Z)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-4-phenyl-1,3-thiazol-5-yl]benzamide
CID 135956722
N-[2-[(2Z)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-4-(4-fluorophenyl)-1,3-thiazol-5-yl]benzamide
CID 27315818
1-(3-chlorophenyl)-3-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]urea
CID 1185920
methyl 2-[(2Z)-2-[(3-methoxyphenyl)methylidene]hydrazinyl]-4-phenyl-1,3-thiazole-5-carboxylate
CID 110534591
2-N,6-N-bis[(E)-(3-chlorophenyl)methylideneamino]pyridine-2,6-dicarboxamide
CID 171981138
4-acetamido-N-[(Z)-(3-chlorophenyl)methylideneamino]benzamide
CID 5427466
N-[(3-chlorophenyl)methylideneamino]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 1219053
N-[5-acetamido-4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(3,5-dimethylphenoxy)acetamide
CID 46299927

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[(3-chlorophenyl)methylidene]hydrazinyl]-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide?
The IUPAC name of N-[2-[2-[(3-chlorophenyl)methylidene]hydrazinyl]-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide (CID 3722954) is N-[2-[2-[(3-chlorophenyl)methylidene]hydrazinyl]-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide.
What is the SMILES notation for N-[2-[2-[(3-chlorophenyl)methylidene]hydrazinyl]-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide?
The canonical SMILES for N-[2-[2-[(3-chlorophenyl)methylidene]hydrazinyl]-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide is CC(=O)Nc1sc(NN=Cc2cccc(Cl)c2)nc1-c1ccc(C)cc1.
What is the InChIKey of N-[2-[2-[(3-chlorophenyl)methylidene]hydrazinyl]-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide?
The InChIKey is CHFQEMZTNAZKJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4OS/c1-12-6-8-15(9-7-12)17-18(22-13(2)25)26-19(23-17)24-21-11-14-4-3-5-16(20)10-14/h3-11H,1-2H3,(H,22,25)(H,23,24).
What are the key properties of N-[2-[2-[(3-chlorophenyl)methylidene]hydrazinyl]-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide?
N-[2-[2-[(3-chlorophenyl)methylidene]hydrazinyl]-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide has a molecular weight of 384.89 g/mol, XLogP of 5.18, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[(3-chlorophenyl)methylidene]hydrazinyl]-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide is sourced from PubChem (CID 3722954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).