1-[3,5-difluoro-4-(1,3-thiazol-5-ylmethoxy)phenyl]-N-methylmethanamine

C12H12F2N2OS — CID 112640440

IUPAC1-[3,5-difluoro-4-(1,3-thiazol-5-ylmethoxy)phenyl]-N-methylmethanamine
SMILESCNCc1cc(F)c(OCc2cncs2)c(F)c1
InChIInChI=1S/C12H12F2N2OS/c1-15-4-8-2-10(13)12(11(14)3-8)17-6-9-5-16-7-18-9/h2-3,5,7,15H,4,6H2,1H3
InChIKeyLENYBENUCVVWAA-UHFFFAOYSA-N
MW270.30 g/mol
LogP2.72
Rot. Bonds5

About 1-[3,5-difluoro-4-(1,3-thiazol-5-ylmethoxy)phenyl]-N-methylmethanamine

1-[3,5-difluoro-4-(1,3-thiazol-5-ylmethoxy)phenyl]-N-methylmethanamine (PubChem CID 112640440) has the molecular formula C12H12F2N2OS and a molecular weight of 270.30 g/mol. Its IUPAC name is 1-[3,5-difluoro-4-(1,3-thiazol-5-ylmethoxy)phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3,5-difluoro-4-(1,3-thiazol-5-ylmethoxy)phenyl]-N-methylmethanamine
PubChem CID112640440
Molecular FormulaC12H12F2N2OS
Molecular Weight270.30 g/mol
Exact Mass270.06
IUPAC Name1-[3,5-difluoro-4-(1,3-thiazol-5-ylmethoxy)phenyl]-N-methylmethanamine
SMILESCNCc1cc(F)c(OCc2cncs2)c(F)c1
InChIInChI=1S/C12H12F2N2OS/c1-15-4-8-2-10(13)12(11(14)3-8)17-6-9-5-16-7-18-9/h2-3,5,7,15H,4,6H2,1H3
InChIKeyLENYBENUCVVWAA-UHFFFAOYSA-N
XLogP2.72
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.30
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-bromo-5-ethoxy-4-(1,3-thiazol-5-ylmethoxy)phenyl]-N-methylmethanamine
CID 115978905
1-[4-[(4-bromothiophen-2-yl)methoxy]-3,5-difluorophenyl]-N-methylmethanamine
CID 79891772
1-[3-chloro-4-(1,3-thiazol-5-ylmethoxy)phenyl]-N-methylmethanamine
CID 112640373
1-[4-[(3-chloro-4-pyridinyl)methoxy]-3,5-difluorophenyl]-N-methylmethanamine
CID 79891927
1-[4-[(2,6-dichlorophenyl)methoxy]-3,5-difluorophenyl]-N-methylmethanamine
CID 79881837
1-[3,5-difluoro-4-[(2-methylphenyl)methoxy]phenyl]-N-methylmethanamine
CID 79891486
N-[[3-fluoro-4-(1,3-thiazol-5-ylmethoxy)phenyl]methyl]propan-1-amine
CID 107687349
1-[3,5-difluoro-4-(2-fluoroethoxy)phenyl]-N-methylmethanamine
CID 80698852
1-[3,5-difluoro-4-[(4-methoxyphenyl)methoxy]phenyl]-N-methylmethanamine
CID 79881861
N-[[3-fluoro-2-(1,3-thiazol-5-ylmethoxy)phenyl]methyl]propan-1-amine
CID 112640473
1-[4-methoxy-2-(1,3-thiazol-5-ylmethoxy)phenyl]-N-methylmethanamine
CID 112640362
5-[(5-fluoro-2-methylphenoxy)methyl]-1,3-thiazole
CID 102990539

Frequently Asked Questions

What is the IUPAC name of 1-[3,5-difluoro-4-(1,3-thiazol-5-ylmethoxy)phenyl]-N-methylmethanamine?
The IUPAC name of 1-[3,5-difluoro-4-(1,3-thiazol-5-ylmethoxy)phenyl]-N-methylmethanamine (CID 112640440) is 1-[3,5-difluoro-4-(1,3-thiazol-5-ylmethoxy)phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[3,5-difluoro-4-(1,3-thiazol-5-ylmethoxy)phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[3,5-difluoro-4-(1,3-thiazol-5-ylmethoxy)phenyl]-N-methylmethanamine is CNCc1cc(F)c(OCc2cncs2)c(F)c1.
What is the InChIKey of 1-[3,5-difluoro-4-(1,3-thiazol-5-ylmethoxy)phenyl]-N-methylmethanamine?
The InChIKey is LENYBENUCVVWAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N2OS/c1-15-4-8-2-10(13)12(11(14)3-8)17-6-9-5-16-7-18-9/h2-3,5,7,15H,4,6H2,1H3.
What are the key properties of 1-[3,5-difluoro-4-(1,3-thiazol-5-ylmethoxy)phenyl]-N-methylmethanamine?
1-[3,5-difluoro-4-(1,3-thiazol-5-ylmethoxy)phenyl]-N-methylmethanamine has a molecular weight of 270.30 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,5-difluoro-4-(1,3-thiazol-5-ylmethoxy)phenyl]-N-methylmethanamine is sourced from PubChem (CID 112640440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).