N'-[2-(4-methylanilino)acetyl]-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetohydrazide

C21H22N4O2S — CID 78823652

IUPACN'-[2-(4-methylanilino)acetyl]-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetohydrazide
SMILESCc1ccc(NCC(=O)NNC(=O)Cc2csc(-c3ccc(C)cc3)n2)cc1
InChIInChI=1S/C21H22N4O2S/c1-14-3-7-16(8-4-14)21-23-18(13-28-21)11-19(26)24-25-20(27)12-22-17-9-5-15(2)6-10-17/h3-10,13,22H,11-12H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyNQCNYBQWYVTUMM-UHFFFAOYSA-N
MW394.50 g/mol
LogP3.23
Rot. Bonds6

About N'-[2-(4-methylanilino)acetyl]-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetohydrazide

N'-[2-(4-methylanilino)acetyl]-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetohydrazide (PubChem CID 78823652) has the molecular formula C21H22N4O2S and a molecular weight of 394.50 g/mol. Its IUPAC name is N'-[2-(4-methylanilino)acetyl]-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetohydrazide.

Molecular Properties

Compound NameN'-[2-(4-methylanilino)acetyl]-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetohydrazide
PubChem CID78823652
Molecular FormulaC21H22N4O2S
Molecular Weight394.50 g/mol
Exact Mass394.15
IUPAC NameN'-[2-(4-methylanilino)acetyl]-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetohydrazide
SMILESCc1ccc(NCC(=O)NNC(=O)Cc2csc(-c3ccc(C)cc3)n2)cc1
InChIInChI=1S/C21H22N4O2S/c1-14-3-7-16(8-4-14)21-23-18(13-28-21)11-19(26)24-25-20(27)12-22-17-9-5-15(2)6-10-17/h3-10,13,22H,11-12H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyNQCNYBQWYVTUMM-UHFFFAOYSA-N
XLogP3.23
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.50
LogP ≤ 53.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-3-[[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetyl]amino]urea
CID 86835778
N'-[2-(4-methoxyanilino)acetyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetohydrazide
CID 18283839
2-methyl-N-[4-[2-[2-[2-(4-methylanilino)acetyl]hydrazinyl]-2-oxoethyl]-1,3-thiazol-2-yl]propanamide
CID 56503754
N-[2-(tert-butylamino)-2-oxoethyl]-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 17398651
N-(1-amino-2-methylpropan-2-yl)-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 119521950
N'-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetyl]-4-propan-2-yloxybenzohydrazide
CID 24514393
2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-N-(4-methylsulfonylphenyl)acetamide
CID 9455853
2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-(4-methylphenyl)acetamide
CID 55569763
2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-N-(5-methyl-2-pyridinyl)acetamide
CID 35025092
(3R)-4,4,4-trifluoro-N'-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetyl]-3-hydroxy-3-methylbutanehydrazide
CID 9076206
N-(1,3-benzodioxol-5-yl)-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 8776935
N'-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetyl]-3-nitrobenzohydrazide
CID 27662809

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-methylanilino)acetyl]-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetohydrazide?
The IUPAC name of N'-[2-(4-methylanilino)acetyl]-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetohydrazide (CID 78823652) is N'-[2-(4-methylanilino)acetyl]-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetohydrazide.
What is the SMILES notation for N'-[2-(4-methylanilino)acetyl]-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetohydrazide?
The canonical SMILES for N'-[2-(4-methylanilino)acetyl]-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetohydrazide is Cc1ccc(NCC(=O)NNC(=O)Cc2csc(-c3ccc(C)cc3)n2)cc1.
What is the InChIKey of N'-[2-(4-methylanilino)acetyl]-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetohydrazide?
The InChIKey is NQCNYBQWYVTUMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2S/c1-14-3-7-16(8-4-14)21-23-18(13-28-21)11-19(26)24-25-20(27)12-22-17-9-5-15(2)6-10-17/h3-10,13,22H,11-12H2,1-2H3,(H,24,26)(H,25,27).
What are the key properties of N'-[2-(4-methylanilino)acetyl]-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetohydrazide?
N'-[2-(4-methylanilino)acetyl]-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetohydrazide has a molecular weight of 394.50 g/mol, XLogP of 3.23, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-methylanilino)acetyl]-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetohydrazide is sourced from PubChem (CID 78823652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).