1-[4-fluoro-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]-N-methylethanamine

C16H21FN2OS — CID 63064444

IUPAC1-[4-fluoro-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]-N-methylethanamine
SMILESCNC(C)c1ccc(F)cc1OCc1csc(C(C)C)n1
InChIInChI=1S/C16H21FN2OS/c1-10(2)16-19-13(9-21-16)8-20-15-7-12(17)5-6-14(15)11(3)18-4/h5-7,9-11,18H,8H2,1-4H3
InChIKeyZYKFJIWHFLUGJA-UHFFFAOYSA-N
MW308.42 g/mol
LogP4.26
Rot. Bonds6

About 1-[4-fluoro-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]-N-methylethanamine

1-[4-fluoro-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]-N-methylethanamine (PubChem CID 63064444) has the molecular formula C16H21FN2OS and a molecular weight of 308.42 g/mol. Its IUPAC name is 1-[4-fluoro-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]-N-methylethanamine.

Molecular Properties

Compound Name1-[4-fluoro-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]-N-methylethanamine
PubChem CID63064444
Molecular FormulaC16H21FN2OS
Molecular Weight308.42 g/mol
Exact Mass308.14
IUPAC Name1-[4-fluoro-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]-N-methylethanamine
SMILESCNC(C)c1ccc(F)cc1OCc1csc(C(C)C)n1
InChIInChI=1S/C16H21FN2OS/c1-10(2)16-19-13(9-21-16)8-20-15-7-12(17)5-6-14(15)11(3)18-4/h5-7,9-11,18H,8H2,1-4H3
InChIKeyZYKFJIWHFLUGJA-UHFFFAOYSA-N
XLogP4.26
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-[5-methyl-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]ethanamine
CID 61487231
1-[4-fluoro-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]-N-methylethanamine
CID 63064107
(1R)-1-[4-bromo-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]ethanamine
CID 102946677
2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenol
CID 54956266
1-[2-(2,2-difluoroethoxy)-4-fluorophenyl]-N-methylethanamine
CID 63065355
4-[(3-fluoro-4-methoxyphenoxy)methyl]-2-propan-2-yl-1,3-thiazole
CID 86850292
(1S)-1-[4-fluoro-2-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanamine
CID 78935756
1-(4-fluoro-2-nonoxyphenyl)-N-methylethanamine
CID 63485682
1-[4-fluoro-2-[(2-methoxyphenyl)methoxy]phenyl]-N-methylethanamine
CID 63064797
4-[[5-fluoro-2-[1-(methylamino)ethyl]phenoxy]methyl]pyridine-2-carbonitrile
CID 63888650
[2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine
CID 54956681
1-[2-[(3-bromo-5-fluorophenyl)methoxy]-4-fluorophenyl]-N-methylethanamine
CID 79698106

Frequently Asked Questions

What is the IUPAC name of 1-[4-fluoro-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]-N-methylethanamine?
The IUPAC name of 1-[4-fluoro-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]-N-methylethanamine (CID 63064444) is 1-[4-fluoro-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]-N-methylethanamine.
What is the SMILES notation for 1-[4-fluoro-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]-N-methylethanamine?
The canonical SMILES for 1-[4-fluoro-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]-N-methylethanamine is CNC(C)c1ccc(F)cc1OCc1csc(C(C)C)n1.
What is the InChIKey of 1-[4-fluoro-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]-N-methylethanamine?
The InChIKey is ZYKFJIWHFLUGJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2OS/c1-10(2)16-19-13(9-21-16)8-20-15-7-12(17)5-6-14(15)11(3)18-4/h5-7,9-11,18H,8H2,1-4H3.
What are the key properties of 1-[4-fluoro-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]-N-methylethanamine?
1-[4-fluoro-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]-N-methylethanamine has a molecular weight of 308.42 g/mol, XLogP of 4.26, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-fluoro-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]-N-methylethanamine is sourced from PubChem (CID 63064444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).