N-[(Z)-1-(4-fluorophenyl)pentylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide

C17H20FN3OS — CID 9464108

IUPACN-[(Z)-1-(4-fluorophenyl)pentylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
SMILESCCCC/C(=N/NC(=O)Cc1csc(C)n1)c1ccc(F)cc1
InChIInChI=1S/C17H20FN3OS/c1-3-4-5-16(13-6-8-14(18)9-7-13)20-21-17(22)10-15-11-23-12(2)19-15/h6-9,11H,3-5,10H2,1-2H3,(H,21,22)/b20-16-
InChIKeyLOEDVHASDXIXFB-SILNSSARSA-N
MW333.43 g/mol
LogP3.84
Rot. Bonds7

About N-[(Z)-1-(4-fluorophenyl)pentylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide

N-[(Z)-1-(4-fluorophenyl)pentylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide (PubChem CID 9464108) has the molecular formula C17H20FN3OS and a molecular weight of 333.43 g/mol. Its IUPAC name is N-[(Z)-1-(4-fluorophenyl)pentylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[(Z)-1-(4-fluorophenyl)pentylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
PubChem CID9464108
Molecular FormulaC17H20FN3OS
Molecular Weight333.43 g/mol
Exact Mass333.13
IUPAC NameN-[(Z)-1-(4-fluorophenyl)pentylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
SMILESCCCC/C(=N/NC(=O)Cc1csc(C)n1)c1ccc(F)cc1
InChIInChI=1S/C17H20FN3OS/c1-3-4-5-16(13-6-8-14(18)9-7-13)20-21-17(22)10-15-11-23-12(2)19-15/h6-9,11H,3-5,10H2,1-2H3,(H,21,22)/b20-16-
InChIKeyLOEDVHASDXIXFB-SILNSSARSA-N
XLogP3.84
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(4-methylphenyl)propylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 9463729
N-[(Z)-1-(3,4-dichlorophenyl)propylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 9464064
N-[(Z)-1-(3,4-dichlorophenyl)ethylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 6092245
2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N-[(Z)-1-(4-methylphenyl)ethylideneamino]acetamide
CID 8882089
4-fluoro-N-[4-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]-4-oxobutyl]benzamide
CID 47070792
2-(2-methyl-1,3-thiazol-4-yl)-N-[1-(4-nitrophenyl)ethylideneamino]acetamide
CID 4018140
2-(2-methyl-1,3-thiazol-4-yl)-N-[1-(10H-phenothiazin-2-yl)ethylideneamino]acetamide
CID 78583999
N-[3-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]phenyl]butanamide
CID 87026123
2-(benzotriazol-1-yl)-N-[(Z)-1-(4-fluorophenyl)pentylideneamino]acetamide
CID 8975823
N-[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 56789009
4-fluoro-N-[3-[[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]methyl]phenyl]benzamide
CID 60535431
2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]acetamide
CID 135702470

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(4-fluorophenyl)pentylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-[(Z)-1-(4-fluorophenyl)pentylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide (CID 9464108) is N-[(Z)-1-(4-fluorophenyl)pentylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-[(Z)-1-(4-fluorophenyl)pentylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-[(Z)-1-(4-fluorophenyl)pentylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide is CCCC/C(=N/NC(=O)Cc1csc(C)n1)c1ccc(F)cc1.
What is the InChIKey of N-[(Z)-1-(4-fluorophenyl)pentylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The InChIKey is LOEDVHASDXIXFB-SILNSSARSA-N. The full InChI is InChI=1S/C17H20FN3OS/c1-3-4-5-16(13-6-8-14(18)9-7-13)20-21-17(22)10-15-11-23-12(2)19-15/h6-9,11H,3-5,10H2,1-2H3,(H,21,22)/b20-16-.
What are the key properties of N-[(Z)-1-(4-fluorophenyl)pentylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
N-[(Z)-1-(4-fluorophenyl)pentylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide has a molecular weight of 333.43 g/mol, XLogP of 3.84, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(4-fluorophenyl)pentylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 9464108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).