1-[2-[2-(difluoromethoxy)phenyl]-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine

C14H16F2N2OS — CID 61282666

IUPAC1-[2-[2-(difluoromethoxy)phenyl]-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine
SMILESCNC(C)c1sc(-c2ccccc2OC(F)F)nc1C
InChIInChI=1S/C14H16F2N2OS/c1-8(17-3)12-9(2)18-13(20-12)10-6-4-5-7-11(10)19-14(15)16/h4-8,14,17H,1-3H3
InChIKeyGZJRVTSZZKAGSB-UHFFFAOYSA-N
MW298.36 g/mol
LogP4.00
Rot. Bonds5

About 1-[2-[2-(difluoromethoxy)phenyl]-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine

1-[2-[2-(difluoromethoxy)phenyl]-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine (PubChem CID 61282666) has the molecular formula C14H16F2N2OS and a molecular weight of 298.36 g/mol. Its IUPAC name is 1-[2-[2-(difluoromethoxy)phenyl]-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine.

Molecular Properties

Compound Name1-[2-[2-(difluoromethoxy)phenyl]-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine
PubChem CID61282666
Molecular FormulaC14H16F2N2OS
Molecular Weight298.36 g/mol
Exact Mass298.10
IUPAC Name1-[2-[2-(difluoromethoxy)phenyl]-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine
SMILESCNC(C)c1sc(-c2ccccc2OC(F)F)nc1C
InChIInChI=1S/C14H16F2N2OS/c1-8(17-3)12-9(2)18-13(20-12)10-6-4-5-7-11(10)19-14(15)16/h4-8,14,17H,1-3H3
InChIKeyGZJRVTSZZKAGSB-UHFFFAOYSA-N
XLogP4.00
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-[4-methyl-2-[2-(trifluoromethoxy)phenyl]-1,3-thiazol-5-yl]ethanamine
CID 61280131
1-[2-(2-fluoro-4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine
CID 81305150
1-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine
CID 61287800
1-[2-(difluoromethoxy)phenyl]-1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylmethanamine
CID 61331924
N-methyl-1-[4-methyl-2-(2,4,6-trimethylphenyl)-1,3-thiazol-5-yl]ethanamine
CID 61280133
2-[2-(difluoromethoxy)phenyl]-1,3-dimethylbenzene
CID 151061360
2,5-bis(2-propan-2-yloxyphenyl)-[1,3]thiazolo[5,4-d][1,3]thiazole
CID 3547520
1-[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethanol
CID 54593693
N-methyl-1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethanamine
CID 61287607
2-[2-(difluoromethoxy)phenyl]-6-ethyl-N-methylpyrimidin-4-amine
CID 62203120
(Z)-3-[2-(difluoromethoxy)phenyl]-N-[(1R)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]prop-2-enamide
CID 94636445
N-[(1R)-1-[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-methoxyacetamide
CID 95934089

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(difluoromethoxy)phenyl]-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine?
The IUPAC name of 1-[2-[2-(difluoromethoxy)phenyl]-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine (CID 61282666) is 1-[2-[2-(difluoromethoxy)phenyl]-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine.
What is the SMILES notation for 1-[2-[2-(difluoromethoxy)phenyl]-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine?
The canonical SMILES for 1-[2-[2-(difluoromethoxy)phenyl]-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine is CNC(C)c1sc(-c2ccccc2OC(F)F)nc1C.
What is the InChIKey of 1-[2-[2-(difluoromethoxy)phenyl]-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine?
The InChIKey is GZJRVTSZZKAGSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N2OS/c1-8(17-3)12-9(2)18-13(20-12)10-6-4-5-7-11(10)19-14(15)16/h4-8,14,17H,1-3H3.
What are the key properties of 1-[2-[2-(difluoromethoxy)phenyl]-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine?
1-[2-[2-(difluoromethoxy)phenyl]-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine has a molecular weight of 298.36 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(difluoromethoxy)phenyl]-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine is sourced from PubChem (CID 61282666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).