4-[2-[4-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]phenyl]-1,3-thiazol-5-yl]-N,N-dimethylaniline

C23H27FN2O3S — CID 58324105

IUPAC4-[2-[4-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]phenyl]-1,3-thiazol-5-yl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(-c2cnc(-c3ccc(OCCOCCOCCF)cc3)s2)cc1
InChIInChI=1S/C23H27FN2O3S/c1-26(2)20-7-3-18(4-8-20)22-17-25-23(30-22)19-5-9-21(10-6-19)29-16-15-28-14-13-27-12-11-24/h3-10,17H,11-16H2,1-2H3
InChIKeyMNIALDNAHUMGNE-UHFFFAOYSA-N
MW430.55 g/mol
LogP4.92
Rot. Bonds12

About 4-[2-[4-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]phenyl]-1,3-thiazol-5-yl]-N,N-dimethylaniline

4-[2-[4-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]phenyl]-1,3-thiazol-5-yl]-N,N-dimethylaniline (PubChem CID 58324105) has the molecular formula C23H27FN2O3S and a molecular weight of 430.55 g/mol. Its IUPAC name is 4-[2-[4-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]phenyl]-1,3-thiazol-5-yl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[2-[4-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]phenyl]-1,3-thiazol-5-yl]-N,N-dimethylaniline
PubChem CID58324105
Molecular FormulaC23H27FN2O3S
Molecular Weight430.55 g/mol
Exact Mass430.17
IUPAC Name4-[2-[4-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]phenyl]-1,3-thiazol-5-yl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(-c2cnc(-c3ccc(OCCOCCOCCF)cc3)s2)cc1
InChIInChI=1S/C23H27FN2O3S/c1-26(2)20-7-3-18(4-8-20)22-17-25-23(30-22)19-5-9-21(10-6-19)29-16-15-28-14-13-27-12-11-24/h3-10,17H,11-16H2,1-2H3
InChIKeyMNIALDNAHUMGNE-UHFFFAOYSA-N
XLogP4.92
TPSA43.82 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.55
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[[3-[Acetyl[[4-(tetradecyloxy)phenyl]methyl]amino]phenyl]methyl]-5-methylthiazolium bromide
CID 10371820
N-[[2-(4-phenoxyphenyl)-1,3-thiazol-5-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine
CID 146293558
N-[3-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl]-N-[(4-tetradecoxyphenyl)methyl]butanamide bromide
CID 10372161
2-{1-(4-Ethoxybenzyl)-4-[(2-phenyl-1,3-thiazol-5-yl)methyl]-2-piperazinyl}ethanol
CID 16191821
N-butyl-N-[3-[4-(5-ethyl-2-phenyl-1,3-thiazol-4-yl)phenoxy]propyl]butan-1-amine;hydrate;hydrochloride
CID 49860353
N-butyl-N-[3-[4-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenoxy]propyl]butan-1-amine;hydrate;hydrochloride
CID 49860354
4-[4-(Cyclopropylmethoxy)phenyl]-2-(2-propyl-4-pyridyl)thiazole
CID 118709519
4-[4-(2-Methoxyethoxy)phenyl]-2-(2-propyl-4-pyridyl)thiazole
CID 118709520
(E)-N-(2-aminophenyl)-3-[2-(4-methoxyphenyl)-1,3-thiazol-5-yl]prop-2-enamide
CID 166627826
4-[4-(4-Methoxyphenyl)-1,3-thiazol-2-yl]-2-propylpyridine
CID 8057213
3-[[3-[Acetyl[2-(4-(tetradecyloxy)phenyl]ethyl]amino]phenyl]methyl]-5-methyl-thiazolium bromide
CID 10416740
N-[4-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl]-N-[(4-tetradecoxyphenyl)methyl]acetamide bromide
CID 11764589

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]phenyl]-1,3-thiazol-5-yl]-N,N-dimethylaniline?
The IUPAC name of 4-[2-[4-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]phenyl]-1,3-thiazol-5-yl]-N,N-dimethylaniline (CID 58324105) is 4-[2-[4-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]phenyl]-1,3-thiazol-5-yl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[2-[4-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]phenyl]-1,3-thiazol-5-yl]-N,N-dimethylaniline?
The canonical SMILES for 4-[2-[4-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]phenyl]-1,3-thiazol-5-yl]-N,N-dimethylaniline is CN(C)c1ccc(-c2cnc(-c3ccc(OCCOCCOCCF)cc3)s2)cc1.
What is the InChIKey of 4-[2-[4-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]phenyl]-1,3-thiazol-5-yl]-N,N-dimethylaniline?
The InChIKey is MNIALDNAHUMGNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN2O3S/c1-26(2)20-7-3-18(4-8-20)22-17-25-23(30-22)19-5-9-21(10-6-19)29-16-15-28-14-13-27-12-11-24/h3-10,17H,11-16H2,1-2H3.
What are the key properties of 4-[2-[4-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]phenyl]-1,3-thiazol-5-yl]-N,N-dimethylaniline?
4-[2-[4-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]phenyl]-1,3-thiazol-5-yl]-N,N-dimethylaniline has a molecular weight of 430.55 g/mol, XLogP of 4.92, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]phenyl]-1,3-thiazol-5-yl]-N,N-dimethylaniline is sourced from PubChem (CID 58324105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).