N',N'-dimethyl-2-[5-(4-methylphenyl)-2-phenyl-1,3-thiazol-4-yl]acetohydrazide

C20H21N3OS — CID 9164043

IUPACN',N'-dimethyl-2-[5-(4-methylphenyl)-2-phenyl-1,3-thiazol-4-yl]acetohydrazide
SMILESCc1ccc(-c2sc(-c3ccccc3)nc2CC(=O)NN(C)C)cc1
InChIInChI=1S/C20H21N3OS/c1-14-9-11-15(12-10-14)19-17(13-18(24)22-23(2)3)21-20(25-19)16-7-5-4-6-8-16/h4-12H,13H2,1-3H3,(H,22,24)
InChIKeyPZTMQDUITZNMKD-UHFFFAOYSA-N
MW351.48 g/mol
LogP3.92
Rot. Bonds5

About N',N'-dimethyl-2-[5-(4-methylphenyl)-2-phenyl-1,3-thiazol-4-yl]acetohydrazide

N',N'-dimethyl-2-[5-(4-methylphenyl)-2-phenyl-1,3-thiazol-4-yl]acetohydrazide (PubChem CID 9164043) has the molecular formula C20H21N3OS and a molecular weight of 351.48 g/mol. Its IUPAC name is N',N'-dimethyl-2-[5-(4-methylphenyl)-2-phenyl-1,3-thiazol-4-yl]acetohydrazide.

Molecular Properties

Compound NameN',N'-dimethyl-2-[5-(4-methylphenyl)-2-phenyl-1,3-thiazol-4-yl]acetohydrazide
PubChem CID9164043
Molecular FormulaC20H21N3OS
Molecular Weight351.48 g/mol
Exact Mass351.14
IUPAC NameN',N'-dimethyl-2-[5-(4-methylphenyl)-2-phenyl-1,3-thiazol-4-yl]acetohydrazide
SMILESCc1ccc(-c2sc(-c3ccccc3)nc2CC(=O)NN(C)C)cc1
InChIInChI=1S/C20H21N3OS/c1-14-9-11-15(12-10-14)19-17(13-18(24)22-23(2)3)21-20(25-19)16-7-5-4-6-8-16/h4-12H,13H2,1-3H3,(H,22,24)
InChIKeyPZTMQDUITZNMKD-UHFFFAOYSA-N
XLogP3.92
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.48
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-fluorophenyl)-2-[5-(4-methylphenyl)-2-phenyl-1,3-thiazol-4-yl]acetamide
CID 7947323
2-[5-(4-methylphenyl)-2-phenyl-1,3-thiazol-4-yl]-N-(4-methylsulfonylphenyl)acetamide
CID 26213278
(4-methylphenyl) 2-[5-(4-methylphenyl)-2-phenyl-1,3-thiazol-4-yl]acetate
CID 7901017
cyanomethyl 2-[5-(4-methylphenyl)-2-phenyl-1,3-thiazol-4-yl]acetate
CID 7951945
2-[5-(4-methylphenyl)-2-phenyl-1,3-thiazol-4-yl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide
CID 4803583
N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-2-[5-(4-methylphenyl)-2-phenyl-1,3-thiazol-4-yl]acetamide
CID 2115768
4-benzyl-2,5-diphenyl-1,3-thiazole
CID 46862429
[2-(3-methylphenyl)-5-phenyl-1,3-thiazol-4-yl]methanamine
CID 64716446
1-[2-(4-bromophenyl)-5-phenyl-1,3-thiazol-4-yl]-N-methylmethanamine
CID 64716452
N'-methyl-N'-(4-methylphenyl)-2-phenylacetohydrazide
CID 13486901
2-(4-methylphenyl)-5-phenyl-1,3-thiazole-4-sulfonyl chloride
CID 71668519
4-[(4-methylphenoxy)methyl]-2-phenyl-1,3-thiazole-5-carboxylic acid
CID 82226795

Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-2-[5-(4-methylphenyl)-2-phenyl-1,3-thiazol-4-yl]acetohydrazide?
The IUPAC name of N',N'-dimethyl-2-[5-(4-methylphenyl)-2-phenyl-1,3-thiazol-4-yl]acetohydrazide (CID 9164043) is N',N'-dimethyl-2-[5-(4-methylphenyl)-2-phenyl-1,3-thiazol-4-yl]acetohydrazide.
What is the SMILES notation for N',N'-dimethyl-2-[5-(4-methylphenyl)-2-phenyl-1,3-thiazol-4-yl]acetohydrazide?
The canonical SMILES for N',N'-dimethyl-2-[5-(4-methylphenyl)-2-phenyl-1,3-thiazol-4-yl]acetohydrazide is Cc1ccc(-c2sc(-c3ccccc3)nc2CC(=O)NN(C)C)cc1.
What is the InChIKey of N',N'-dimethyl-2-[5-(4-methylphenyl)-2-phenyl-1,3-thiazol-4-yl]acetohydrazide?
The InChIKey is PZTMQDUITZNMKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3OS/c1-14-9-11-15(12-10-14)19-17(13-18(24)22-23(2)3)21-20(25-19)16-7-5-4-6-8-16/h4-12H,13H2,1-3H3,(H,22,24).
What are the key properties of N',N'-dimethyl-2-[5-(4-methylphenyl)-2-phenyl-1,3-thiazol-4-yl]acetohydrazide?
N',N'-dimethyl-2-[5-(4-methylphenyl)-2-phenyl-1,3-thiazol-4-yl]acetohydrazide has a molecular weight of 351.48 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-2-[5-(4-methylphenyl)-2-phenyl-1,3-thiazol-4-yl]acetohydrazide is sourced from PubChem (CID 9164043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).