N-[(Z)-1-(5-amino-3-methyl-1,2-thiazol-4-yl)ethylideneamino]-2-(2-fluorophenoxy)acetamide

C14H15FN4O2S — CID 9393212

IUPACN-[(Z)-1-(5-amino-3-methyl-1,2-thiazol-4-yl)ethylideneamino]-2-(2-fluorophenoxy)acetamide
SMILESC/C(=N/NC(=O)COc1ccccc1F)c1c(C)nsc1N
InChIInChI=1S/C14H15FN4O2S/c1-8(13-9(2)19-22-14(13)16)17-18-12(20)7-21-11-6-4-3-5-10(11)15/h3-6H,7,16H2,1-2H3,(H,18,20)/b17-8-
InChIKeySHDMSZAUTNEAEL-IUXPMGMMSA-N
MW322.37 g/mol
LogP2.09
Rot. Bonds5

About N-[(Z)-1-(5-amino-3-methyl-1,2-thiazol-4-yl)ethylideneamino]-2-(2-fluorophenoxy)acetamide

N-[(Z)-1-(5-amino-3-methyl-1,2-thiazol-4-yl)ethylideneamino]-2-(2-fluorophenoxy)acetamide (PubChem CID 9393212) has the molecular formula C14H15FN4O2S and a molecular weight of 322.37 g/mol. Its IUPAC name is N-[(Z)-1-(5-amino-3-methyl-1,2-thiazol-4-yl)ethylideneamino]-2-(2-fluorophenoxy)acetamide.

Molecular Properties

Compound NameN-[(Z)-1-(5-amino-3-methyl-1,2-thiazol-4-yl)ethylideneamino]-2-(2-fluorophenoxy)acetamide
PubChem CID9393212
Molecular FormulaC14H15FN4O2S
Molecular Weight322.37 g/mol
Exact Mass322.09
IUPAC NameN-[(Z)-1-(5-amino-3-methyl-1,2-thiazol-4-yl)ethylideneamino]-2-(2-fluorophenoxy)acetamide
SMILESC/C(=N/NC(=O)COc1ccccc1F)c1c(C)nsc1N
InChIInChI=1S/C14H15FN4O2S/c1-8(13-9(2)19-22-14(13)16)17-18-12(20)7-21-11-6-4-3-5-10(11)15/h3-6H,7,16H2,1-2H3,(H,18,20)/b17-8-
InChIKeySHDMSZAUTNEAEL-IUXPMGMMSA-N
XLogP2.09
TPSA89.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-[(Z)-1-(2,5-dimethylfuran-3-yl)ethylideneamino]-2-(2-fluorophenoxy)acetamide
CID 9316839
N-[(Z)-1-(5-bromothiophen-2-yl)ethylideneamino]-2-(2-fluorophenoxy)acetamide
CID 9316947
N-[1-(1-benzofuran-2-yl)ethylideneamino]-2-(2-fluorophenoxy)acetamide
CID 3377466
2-(2-fluorophenoxy)-N-[(Z)-1-(3-nitrophenyl)ethylideneamino]acetamide
CID 7934903
(2S)-N-[(Z)-1-(5-amino-3-methyl-1,2-thiazol-4-yl)ethylideneamino]-2-(2,3-dimethylphenoxy)propanamide
CID 9395546
N-[(Z)-1-(5-amino-3-methyl-1,2-thiazol-4-yl)ethylideneamino]-4-[(4-chlorophenoxy)methyl]benzamide
CID 9392764
N-[(Z)-1-(5-amino-3-methyl-1,2-thiazol-4-yl)ethylideneamino]-4-(3-methylbutoxy)benzamide
CID 9394261
ethyl N-[4-[(E)-N-[[2-(2,5-dimethylphenoxy)acetyl]amino]-C-methylcarbonimidoyl]-3-methyl-1,2-thiazol-5-yl]carbamate
CID 135618313
N-[(E)-1-(4-aminophenyl)ethylideneamino]-2-(2-methylphenoxy)acetamide
CID 5428196
2-(2-fluorophenoxy)-N-[1-(10H-phenothiazin-2-yl)ethylideneamino]acetamide
CID 5107147
2-(2,5-dimethylphenoxy)-N-[(Z)-1-(2-fluorophenyl)ethylideneamino]acetamide
CID 7984935
2-(2-fluorophenoxy)-N-[(Z)-(4-methylphenyl)methylideneamino]acetamide
CID 7787134

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(5-amino-3-methyl-1,2-thiazol-4-yl)ethylideneamino]-2-(2-fluorophenoxy)acetamide?
The IUPAC name of N-[(Z)-1-(5-amino-3-methyl-1,2-thiazol-4-yl)ethylideneamino]-2-(2-fluorophenoxy)acetamide (CID 9393212) is N-[(Z)-1-(5-amino-3-methyl-1,2-thiazol-4-yl)ethylideneamino]-2-(2-fluorophenoxy)acetamide.
What is the SMILES notation for N-[(Z)-1-(5-amino-3-methyl-1,2-thiazol-4-yl)ethylideneamino]-2-(2-fluorophenoxy)acetamide?
The canonical SMILES for N-[(Z)-1-(5-amino-3-methyl-1,2-thiazol-4-yl)ethylideneamino]-2-(2-fluorophenoxy)acetamide is C/C(=N/NC(=O)COc1ccccc1F)c1c(C)nsc1N.
What is the InChIKey of N-[(Z)-1-(5-amino-3-methyl-1,2-thiazol-4-yl)ethylideneamino]-2-(2-fluorophenoxy)acetamide?
The InChIKey is SHDMSZAUTNEAEL-IUXPMGMMSA-N. The full InChI is InChI=1S/C14H15FN4O2S/c1-8(13-9(2)19-22-14(13)16)17-18-12(20)7-21-11-6-4-3-5-10(11)15/h3-6H,7,16H2,1-2H3,(H,18,20)/b17-8-.
What are the key properties of N-[(Z)-1-(5-amino-3-methyl-1,2-thiazol-4-yl)ethylideneamino]-2-(2-fluorophenoxy)acetamide?
N-[(Z)-1-(5-amino-3-methyl-1,2-thiazol-4-yl)ethylideneamino]-2-(2-fluorophenoxy)acetamide has a molecular weight of 322.37 g/mol, XLogP of 2.09, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(5-amino-3-methyl-1,2-thiazol-4-yl)ethylideneamino]-2-(2-fluorophenoxy)acetamide is sourced from PubChem (CID 9393212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).