N-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-methoxy-1-phenylmethanamine

C19H19FN2O2S — CID 166205958

IUPACN-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-methoxy-1-phenylmethanamine
SMILESCON(Cc1ccccc1)Cc1csc(COc2ccc(F)cc2)n1
InChIInChI=1S/C19H19FN2O2S/c1-23-22(11-15-5-3-2-4-6-15)12-17-14-25-19(21-17)13-24-18-9-7-16(20)8-10-18/h2-10,14H,11-13H2,1H3
InChIKeyKEKSHKQKJFCNAH-UHFFFAOYSA-N
MW358.44 g/mol
LogP4.42
Rot. Bonds8

About N-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-methoxy-1-phenylmethanamine

N-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-methoxy-1-phenylmethanamine (PubChem CID 166205958) has the molecular formula C19H19FN2O2S and a molecular weight of 358.44 g/mol. Its IUPAC name is N-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-methoxy-1-phenylmethanamine.

Molecular Properties

Compound NameN-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-methoxy-1-phenylmethanamine
PubChem CID166205958
Molecular FormulaC19H19FN2O2S
Molecular Weight358.44 g/mol
Exact Mass358.12
IUPAC NameN-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-methoxy-1-phenylmethanamine
SMILESCON(Cc1ccccc1)Cc1csc(COc2ccc(F)cc2)n1
InChIInChI=1S/C19H19FN2O2S/c1-23-22(11-15-5-3-2-4-6-15)12-17-14-25-19(21-17)13-24-18-9-7-16(20)8-10-18/h2-10,14H,11-13H2,1H3
InChIKeyKEKSHKQKJFCNAH-UHFFFAOYSA-N
XLogP4.42
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 54.42
H-Bond Donors ≤ 50
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-(1,3-benzothiazol-2-ylmethyl)-1-[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]-N-methylmethanamine
CID 17411684
4-fluoro-N-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methyl]-N-propan-2-ylbenzamide
CID 46009193
N-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 55528148
N-[[2-[(4-methoxyphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-methylpropyl)-2-phenylacetamide
CID 46008653
N-(2-methoxyethyl)-N-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methyl]-2-phenylacetamide
CID 46009187
2-[cyclopropyl-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]amino]ethanol
CID 60510275
4-[(4-fluorophenoxy)methyl]-2-propyl-1,3-thiazole
CID 60773447
4-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methoxy]benzaldehyde
CID 52554108
3-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-5-methyl-5-phenylimidazolidine-2,4-dione
CID 16624139
2-[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]-N-(2-methyl-1-phenylpropyl)acetamide
CID 18145151
N'-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methyl]-N'-(2-phenylethyl)ethane-1,2-diamine;hydrochloride
CID 120912627
[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methyl 2-(2-fluorophenyl)acetate
CID 55422373

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-methoxy-1-phenylmethanamine?
The IUPAC name of N-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-methoxy-1-phenylmethanamine (CID 166205958) is N-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-methoxy-1-phenylmethanamine.
What is the SMILES notation for N-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-methoxy-1-phenylmethanamine?
The canonical SMILES for N-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-methoxy-1-phenylmethanamine is CON(Cc1ccccc1)Cc1csc(COc2ccc(F)cc2)n1.
What is the InChIKey of N-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-methoxy-1-phenylmethanamine?
The InChIKey is KEKSHKQKJFCNAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O2S/c1-23-22(11-15-5-3-2-4-6-15)12-17-14-25-19(21-17)13-24-18-9-7-16(20)8-10-18/h2-10,14H,11-13H2,1H3.
What are the key properties of N-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-methoxy-1-phenylmethanamine?
N-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-methoxy-1-phenylmethanamine has a molecular weight of 358.44 g/mol, XLogP of 4.42, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-methoxy-1-phenylmethanamine is sourced from PubChem (CID 166205958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).