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

C17H21FN4O3S — CID 24507621

IUPACN'-[2-[2-(4-fluorophenoxy)ethyl-methylamino]acetyl]-2-(4-methyl-1,3-thiazol-2-yl)acetohydrazide
SMILESCc1csc(CC(=O)NNC(=O)CN(C)CCOc2ccc(F)cc2)n1
InChIInChI=1S/C17H21FN4O3S/c1-12-11-26-17(19-12)9-15(23)20-21-16(24)10-22(2)7-8-25-14-5-3-13(18)4-6-14/h3-6,11H,7-10H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyPPKJYFXBDILHOB-UHFFFAOYSA-N
MW380.45 g/mol
LogP1.29
Rot. Bonds8

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

N'-[2-[2-(4-fluorophenoxy)ethyl-methylamino]acetyl]-2-(4-methyl-1,3-thiazol-2-yl)acetohydrazide (PubChem CID 24507621) has the molecular formula C17H21FN4O3S and a molecular weight of 380.45 g/mol. Its IUPAC name is N'-[2-[2-(4-fluorophenoxy)ethyl-methylamino]acetyl]-2-(4-methyl-1,3-thiazol-2-yl)acetohydrazide.

Molecular Properties

Compound NameN'-[2-[2-(4-fluorophenoxy)ethyl-methylamino]acetyl]-2-(4-methyl-1,3-thiazol-2-yl)acetohydrazide
PubChem CID24507621
Molecular FormulaC17H21FN4O3S
Molecular Weight380.45 g/mol
Exact Mass380.13
IUPAC NameN'-[2-[2-(4-fluorophenoxy)ethyl-methylamino]acetyl]-2-(4-methyl-1,3-thiazol-2-yl)acetohydrazide
SMILESCc1csc(CC(=O)NNC(=O)CN(C)CCOc2ccc(F)cc2)n1
InChIInChI=1S/C17H21FN4O3S/c1-12-11-26-17(19-12)9-15(23)20-21-16(24)10-22(2)7-8-25-14-5-3-13(18)4-6-14/h3-6,11H,7-10H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyPPKJYFXBDILHOB-UHFFFAOYSA-N
XLogP1.29
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-[[(4-fluorophenyl)-phenylmethyl]-methylamino]acetyl]-2-(4-methyl-1,3-thiazol-2-yl)acetohydrazide
CID 78840619
N'-[2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetyl]-2-(4-methyl-1,3-thiazol-2-yl)acetohydrazide
CID 55432675
N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-phenoxyethanamine
CID 50955634
N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-phenoxyethanamine;2,2,2-trifluoroacetic acid
CID 154886096
2-[2-(4-fluorophenoxy)ethyl-methylamino]-N,N-dimethylacetamide
CID 51073531
2-[2-(4-fluorophenoxy)ethyl-methylamino]-N-[2-(2-methylphenyl)ethyl]acetamide
CID 18094863
2-(4-methyl-1,3-thiazol-2-yl)-N'-[2-(N,2,4-trimethylanilino)acetyl]acetohydrazide
CID 78903075
N-[(2-chlorophenyl)methyl]-2-[2-(4-fluorophenoxy)ethyl-methylamino]acetamide
CID 9333391
N'-[2-[bis(furan-2-ylmethyl)amino]acetyl]-2-(4-methyl-1,3-thiazol-2-yl)acetohydrazide
CID 24507331
N'-[2-[(2-chloro-5-nitrophenyl)methyl-methylamino]acetyl]-2-(4-methyl-1,3-thiazol-2-yl)acetohydrazide
CID 24682260
2-[3-(4-fluorophenoxy)propyl-methylamino]-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 46444841
4-[2-(dimethylamino)ethoxy]-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]aniline
CID 110452190

Frequently Asked Questions

What is the IUPAC name of N'-[2-[2-(4-fluorophenoxy)ethyl-methylamino]acetyl]-2-(4-methyl-1,3-thiazol-2-yl)acetohydrazide?
The IUPAC name of N'-[2-[2-(4-fluorophenoxy)ethyl-methylamino]acetyl]-2-(4-methyl-1,3-thiazol-2-yl)acetohydrazide (CID 24507621) is N'-[2-[2-(4-fluorophenoxy)ethyl-methylamino]acetyl]-2-(4-methyl-1,3-thiazol-2-yl)acetohydrazide.
What is the SMILES notation for N'-[2-[2-(4-fluorophenoxy)ethyl-methylamino]acetyl]-2-(4-methyl-1,3-thiazol-2-yl)acetohydrazide?
The canonical SMILES for N'-[2-[2-(4-fluorophenoxy)ethyl-methylamino]acetyl]-2-(4-methyl-1,3-thiazol-2-yl)acetohydrazide is Cc1csc(CC(=O)NNC(=O)CN(C)CCOc2ccc(F)cc2)n1.
What is the InChIKey of N'-[2-[2-(4-fluorophenoxy)ethyl-methylamino]acetyl]-2-(4-methyl-1,3-thiazol-2-yl)acetohydrazide?
The InChIKey is PPKJYFXBDILHOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4O3S/c1-12-11-26-17(19-12)9-15(23)20-21-16(24)10-22(2)7-8-25-14-5-3-13(18)4-6-14/h3-6,11H,7-10H2,1-2H3,(H,20,23)(H,21,24).
What are the key properties of N'-[2-[2-(4-fluorophenoxy)ethyl-methylamino]acetyl]-2-(4-methyl-1,3-thiazol-2-yl)acetohydrazide?
N'-[2-[2-(4-fluorophenoxy)ethyl-methylamino]acetyl]-2-(4-methyl-1,3-thiazol-2-yl)acetohydrazide has a molecular weight of 380.45 g/mol, XLogP of 1.29, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[2-(4-fluorophenoxy)ethyl-methylamino]acetyl]-2-(4-methyl-1,3-thiazol-2-yl)acetohydrazide is sourced from PubChem (CID 24507621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).