1-[2-(2-bromo-6-fluorophenyl)-1,3-thiazol-5-yl]-N-methylmethanamine

C11H10BrFN2S — CID 114887585

IUPAC1-[2-(2-bromo-6-fluorophenyl)-1,3-thiazol-5-yl]-N-methylmethanamine
SMILESCNCc1cnc(-c2c(F)cccc2Br)s1
InChIInChI=1S/C11H10BrFN2S/c1-14-5-7-6-15-11(16-7)10-8(12)3-2-4-9(10)13/h2-4,6,14H,5H2,1H3
InChIKeyDJFIHKQXNUQHHK-UHFFFAOYSA-N
MW301.18 g/mol
LogP3.43
Rot. Bonds3

About 1-[2-(2-bromo-6-fluorophenyl)-1,3-thiazol-5-yl]-N-methylmethanamine

1-[2-(2-bromo-6-fluorophenyl)-1,3-thiazol-5-yl]-N-methylmethanamine (PubChem CID 114887585) has the molecular formula C11H10BrFN2S and a molecular weight of 301.18 g/mol. Its IUPAC name is 1-[2-(2-bromo-6-fluorophenyl)-1,3-thiazol-5-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(2-bromo-6-fluorophenyl)-1,3-thiazol-5-yl]-N-methylmethanamine
PubChem CID114887585
Molecular FormulaC11H10BrFN2S
Molecular Weight301.18 g/mol
Exact Mass299.97
IUPAC Name1-[2-(2-bromo-6-fluorophenyl)-1,3-thiazol-5-yl]-N-methylmethanamine
SMILESCNCc1cnc(-c2c(F)cccc2Br)s1
InChIInChI=1S/C11H10BrFN2S/c1-14-5-7-6-15-11(16-7)10-8(12)3-2-4-9(10)13/h2-4,6,14H,5H2,1H3
InChIKeyDJFIHKQXNUQHHK-UHFFFAOYSA-N
XLogP3.43
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.18
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(5-bromo-2-fluorophenyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114895190
N-[[2-(2,6-difluorophenyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 62404638
1-[2-(2,6-difluoro-3-nitrophenyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 79757174
[2-(2,6-difluorophenyl)-1,3-thiazol-5-yl]methanethiol
CID 82422702
1-[2-(2-bromo-6-fluorophenyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114887813
N-[[2-(2-fluoro-6-methylsulfanylphenyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 113386044
3-[5-(methylaminomethyl)-1,3-thiazol-2-yl]phenol
CID 61282920
N-[[2-(2-chloro-6-fluorophenyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 55079087
1-[2-[(2-bromophenyl)methyl]-1,3-thiazol-5-yl]-N-methylmethanamine
CID 62830361
N-[[5-(2-bromo-6-fluorophenyl)-1,3,4-thiadiazol-2-yl]methyl]propan-2-amine
CID 114561266
1-[2-(2-bromo-5-methoxyphenyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114078190
N-[[2-(2-bromo-6-fluorophenyl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 114887785

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-bromo-6-fluorophenyl)-1,3-thiazol-5-yl]-N-methylmethanamine?
The IUPAC name of 1-[2-(2-bromo-6-fluorophenyl)-1,3-thiazol-5-yl]-N-methylmethanamine (CID 114887585) is 1-[2-(2-bromo-6-fluorophenyl)-1,3-thiazol-5-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(2-bromo-6-fluorophenyl)-1,3-thiazol-5-yl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(2-bromo-6-fluorophenyl)-1,3-thiazol-5-yl]-N-methylmethanamine is CNCc1cnc(-c2c(F)cccc2Br)s1.
What is the InChIKey of 1-[2-(2-bromo-6-fluorophenyl)-1,3-thiazol-5-yl]-N-methylmethanamine?
The InChIKey is DJFIHKQXNUQHHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrFN2S/c1-14-5-7-6-15-11(16-7)10-8(12)3-2-4-9(10)13/h2-4,6,14H,5H2,1H3.
What are the key properties of 1-[2-(2-bromo-6-fluorophenyl)-1,3-thiazol-5-yl]-N-methylmethanamine?
1-[2-(2-bromo-6-fluorophenyl)-1,3-thiazol-5-yl]-N-methylmethanamine has a molecular weight of 301.18 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-bromo-6-fluorophenyl)-1,3-thiazol-5-yl]-N-methylmethanamine is sourced from PubChem (CID 114887585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).