2-[(4-fluorophenoxy)methyl]-4-[(4-methyl-2-nitrophenoxy)methyl]-1,3-thiazole

C18H15FN2O4S — CID 16960575

IUPAC2-[(4-fluorophenoxy)methyl]-4-[(4-methyl-2-nitrophenoxy)methyl]-1,3-thiazole
SMILESCc1ccc(OCc2csc(COc3ccc(F)cc3)n2)c([N+](=O)[O-])c1
InChIInChI=1S/C18H15FN2O4S/c1-12-2-7-17(16(8-12)21(22)23)25-9-14-11-26-18(20-14)10-24-15-5-3-13(19)4-6-15/h2-8,11H,9-10H2,1H3
InChIKeyWLENEFYHHKDVNI-UHFFFAOYSA-N
MW374.39 g/mol
LogP4.66
Rot. Bonds7

About 2-[(4-fluorophenoxy)methyl]-4-[(4-methyl-2-nitrophenoxy)methyl]-1,3-thiazole

2-[(4-fluorophenoxy)methyl]-4-[(4-methyl-2-nitrophenoxy)methyl]-1,3-thiazole (PubChem CID 16960575) has the molecular formula C18H15FN2O4S and a molecular weight of 374.39 g/mol. Its IUPAC name is 2-[(4-fluorophenoxy)methyl]-4-[(4-methyl-2-nitrophenoxy)methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[(4-fluorophenoxy)methyl]-4-[(4-methyl-2-nitrophenoxy)methyl]-1,3-thiazole
PubChem CID16960575
Molecular FormulaC18H15FN2O4S
Molecular Weight374.39 g/mol
Exact Mass374.07
IUPAC Name2-[(4-fluorophenoxy)methyl]-4-[(4-methyl-2-nitrophenoxy)methyl]-1,3-thiazole
SMILESCc1ccc(OCc2csc(COc3ccc(F)cc3)n2)c([N+](=O)[O-])c1
InChIInChI=1S/C18H15FN2O4S/c1-12-2-7-17(16(8-12)21(22)23)25-9-14-11-26-18(20-14)10-24-15-5-3-13(19)4-6-15/h2-8,11H,9-10H2,1H3
InChIKeyWLENEFYHHKDVNI-UHFFFAOYSA-N
XLogP4.66
TPSA74.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.39
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[(4-fluorophenoxy)methyl]-4-[(4-methyl-2-nitrophenoxy)methyl]-1,3-thiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(2-chloro-4-nitrophenoxy)methyl]-2-[(4-methylphenoxy)methyl]-1,3-thiazole
CID 52545143
2-(4-fluorophenyl)-4-[(4-methoxy-2-nitrophenoxy)methyl]-1,3-thiazole
CID 8537624
[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methyl 2-methyl-6-nitrobenzoate
CID 46661019
[3-nitro-4-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine
CID 61487544
methyl 4-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methoxy]-3-methoxybenzoate
CID 16625207
1-(4-fluorophenoxy)-4-methyl-2-nitrobenzene
CID 133413588
4-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methoxy]benzaldehyde
CID 52554108
1-[4-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-3-nitrophenyl]-N-methylmethanamine
CID 61484657
3-methoxy-4-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methoxy]benzaldehyde
CID 51297612
4-[(4-fluorophenoxy)methyl]-2-propyl-1,3-thiazole
CID 60773447
N-(3,4-dimethylphenyl)-N-[4-[(4-methyl-2-nitrophenoxy)methyl]-1,3-thiazol-2-yl]acetamide
CID 8563300
(5-fluoro-2-methoxyphenyl)methyl 2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetate
CID 55477220

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenoxy)methyl]-4-[(4-methyl-2-nitrophenoxy)methyl]-1,3-thiazole?
The IUPAC name of 2-[(4-fluorophenoxy)methyl]-4-[(4-methyl-2-nitrophenoxy)methyl]-1,3-thiazole (CID 16960575) is 2-[(4-fluorophenoxy)methyl]-4-[(4-methyl-2-nitrophenoxy)methyl]-1,3-thiazole.
What is the SMILES notation for 2-[(4-fluorophenoxy)methyl]-4-[(4-methyl-2-nitrophenoxy)methyl]-1,3-thiazole?
The canonical SMILES for 2-[(4-fluorophenoxy)methyl]-4-[(4-methyl-2-nitrophenoxy)methyl]-1,3-thiazole is Cc1ccc(OCc2csc(COc3ccc(F)cc3)n2)c([N+](=O)[O-])c1.
What is the InChIKey of 2-[(4-fluorophenoxy)methyl]-4-[(4-methyl-2-nitrophenoxy)methyl]-1,3-thiazole?
The InChIKey is WLENEFYHHKDVNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O4S/c1-12-2-7-17(16(8-12)21(22)23)25-9-14-11-26-18(20-14)10-24-15-5-3-13(19)4-6-15/h2-8,11H,9-10H2,1H3.
What are the key properties of 2-[(4-fluorophenoxy)methyl]-4-[(4-methyl-2-nitrophenoxy)methyl]-1,3-thiazole?
2-[(4-fluorophenoxy)methyl]-4-[(4-methyl-2-nitrophenoxy)methyl]-1,3-thiazole has a molecular weight of 374.39 g/mol, XLogP of 4.66, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenoxy)methyl]-4-[(4-methyl-2-nitrophenoxy)methyl]-1,3-thiazole is sourced from PubChem (CID 16960575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).