N'-[2-[[(4-fluorophenyl)-phenylmethyl]-methylamino]acetyl]-2-(4-methyl-1,3-thiazol-2-yl)acetohydrazide

C22H23FN4O2S — CID 78840619

IUPACN'-[2-[[(4-fluorophenyl)-phenylmethyl]-methylamino]acetyl]-2-(4-methyl-1,3-thiazol-2-yl)acetohydrazide
SMILESCc1csc(CC(=O)NNC(=O)CN(C)C(c2ccccc2)c2ccc(F)cc2)n1
InChIInChI=1S/C22H23FN4O2S/c1-15-14-30-21(24-15)12-19(28)25-26-20(29)13-27(2)22(16-6-4-3-5-7-16)17-8-10-18(23)11-9-17/h3-11,14,22H,12-13H2,1-2H3,(H,25,28)(H,26,29)
InChIKeyUJUPTUBIDVOKRK-UHFFFAOYSA-N
MW426.52 g/mol
LogP3.00
Rot. Bonds7

About N'-[2-[[(4-fluorophenyl)-phenylmethyl]-methylamino]acetyl]-2-(4-methyl-1,3-thiazol-2-yl)acetohydrazide

N'-[2-[[(4-fluorophenyl)-phenylmethyl]-methylamino]acetyl]-2-(4-methyl-1,3-thiazol-2-yl)acetohydrazide (PubChem CID 78840619) has the molecular formula C22H23FN4O2S and a molecular weight of 426.52 g/mol. Its IUPAC name is N'-[2-[[(4-fluorophenyl)-phenylmethyl]-methylamino]acetyl]-2-(4-methyl-1,3-thiazol-2-yl)acetohydrazide.

Molecular Properties

Compound NameN'-[2-[[(4-fluorophenyl)-phenylmethyl]-methylamino]acetyl]-2-(4-methyl-1,3-thiazol-2-yl)acetohydrazide
PubChem CID78840619
Molecular FormulaC22H23FN4O2S
Molecular Weight426.52 g/mol
Exact Mass426.15
IUPAC NameN'-[2-[[(4-fluorophenyl)-phenylmethyl]-methylamino]acetyl]-2-(4-methyl-1,3-thiazol-2-yl)acetohydrazide
SMILESCc1csc(CC(=O)NNC(=O)CN(C)C(c2ccccc2)c2ccc(F)cc2)n1
InChIInChI=1S/C22H23FN4O2S/c1-15-14-30-21(24-15)12-19(28)25-26-20(29)13-27(2)22(16-6-4-3-5-7-16)17-8-10-18(23)11-9-17/h3-11,14,22H,12-13H2,1-2H3,(H,25,28)(H,26,29)
InChIKeyUJUPTUBIDVOKRK-UHFFFAOYSA-N
XLogP3.00
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-[2-(4-fluorophenoxy)ethyl-methylamino]acetyl]-2-(4-methyl-1,3-thiazol-2-yl)acetohydrazide
CID 24507621
[2-[2-[2-(4-methyl-1,3-thiazol-2-yl)acetyl]hydrazinyl]-2-oxoethyl] 2-phenylbutanoate
CID 55443881
2-(4-methyl-1,3-thiazol-2-yl)-N'-[2-(N,2,4-trimethylanilino)acetyl]acetohydrazide
CID 78903075
2-[[(4-fluorophenyl)-phenylmethyl]-methylamino]-N-(2,4,6-trichlorophenyl)acetamide
CID 16609246
N'-[2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetyl]-2-(4-methyl-1,3-thiazol-2-yl)acetohydrazide
CID 55432675
N'-[2-[bis(furan-2-ylmethyl)amino]acetyl]-2-(4-methyl-1,3-thiazol-2-yl)acetohydrazide
CID 24507331
N-(2,6-dichloro-3-methylphenyl)-2-[[(R)-(4-fluorophenyl)-phenylmethyl]-methylamino]acetamide
CID 26249409
methyl 2-[[[2-[[(4-fluorophenyl)-phenylmethyl]-methylamino]acetyl]amino]methyl]benzoate
CID 166434608
N-(4-bromo-2-methylphenyl)-2-[[(4-fluorophenyl)-phenylmethyl]-methylamino]acetamide
CID 16609224
2-[benzhydryl(methyl)amino]-N-(2,6-difluorophenyl)acetamide
CID 8730143
2-[[(R)-(4-fluorophenyl)-phenylmethyl]-methylamino]-N-methyl-N-(thiophen-3-ylmethyl)acetamide
CID 42088730
N'-[2-[cyclopropyl(2-methylpropyl)amino]acetyl]-2-(4-methyl-1,3-thiazol-2-yl)acetohydrazide
CID 43056222

Frequently Asked Questions

What is the IUPAC name of N'-[2-[[(4-fluorophenyl)-phenylmethyl]-methylamino]acetyl]-2-(4-methyl-1,3-thiazol-2-yl)acetohydrazide?
The IUPAC name of N'-[2-[[(4-fluorophenyl)-phenylmethyl]-methylamino]acetyl]-2-(4-methyl-1,3-thiazol-2-yl)acetohydrazide (CID 78840619) is N'-[2-[[(4-fluorophenyl)-phenylmethyl]-methylamino]acetyl]-2-(4-methyl-1,3-thiazol-2-yl)acetohydrazide.
What is the SMILES notation for N'-[2-[[(4-fluorophenyl)-phenylmethyl]-methylamino]acetyl]-2-(4-methyl-1,3-thiazol-2-yl)acetohydrazide?
The canonical SMILES for N'-[2-[[(4-fluorophenyl)-phenylmethyl]-methylamino]acetyl]-2-(4-methyl-1,3-thiazol-2-yl)acetohydrazide is Cc1csc(CC(=O)NNC(=O)CN(C)C(c2ccccc2)c2ccc(F)cc2)n1.
What is the InChIKey of N'-[2-[[(4-fluorophenyl)-phenylmethyl]-methylamino]acetyl]-2-(4-methyl-1,3-thiazol-2-yl)acetohydrazide?
The InChIKey is UJUPTUBIDVOKRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O2S/c1-15-14-30-21(24-15)12-19(28)25-26-20(29)13-27(2)22(16-6-4-3-5-7-16)17-8-10-18(23)11-9-17/h3-11,14,22H,12-13H2,1-2H3,(H,25,28)(H,26,29).
What are the key properties of N'-[2-[[(4-fluorophenyl)-phenylmethyl]-methylamino]acetyl]-2-(4-methyl-1,3-thiazol-2-yl)acetohydrazide?
N'-[2-[[(4-fluorophenyl)-phenylmethyl]-methylamino]acetyl]-2-(4-methyl-1,3-thiazol-2-yl)acetohydrazide has a molecular weight of 426.52 g/mol, XLogP of 3.00, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[[(4-fluorophenyl)-phenylmethyl]-methylamino]acetyl]-2-(4-methyl-1,3-thiazol-2-yl)acetohydrazide is sourced from PubChem (CID 78840619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).