1-[2-(4-bromo-2-fluorophenyl)-1,3-thiazol-4-yl]-N-methylmethanamine

C11H10BrFN2S — CID 114906976

IUPAC1-[2-(4-bromo-2-fluorophenyl)-1,3-thiazol-4-yl]-N-methylmethanamine
SMILESCNCc1csc(-c2ccc(Br)cc2F)n1
InChIInChI=1S/C11H10BrFN2S/c1-14-5-8-6-16-11(15-8)9-3-2-7(12)4-10(9)13/h2-4,6,14H,5H2,1H3
InChIKeyVAHNFEFWFIRBDP-UHFFFAOYSA-N
MW301.18 g/mol
LogP3.43
Rot. Bonds3

About 1-[2-(4-bromo-2-fluorophenyl)-1,3-thiazol-4-yl]-N-methylmethanamine

1-[2-(4-bromo-2-fluorophenyl)-1,3-thiazol-4-yl]-N-methylmethanamine (PubChem CID 114906976) has the molecular formula C11H10BrFN2S and a molecular weight of 301.18 g/mol. Its IUPAC name is 1-[2-(4-bromo-2-fluorophenyl)-1,3-thiazol-4-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(4-bromo-2-fluorophenyl)-1,3-thiazol-4-yl]-N-methylmethanamine
PubChem CID114906976
Molecular FormulaC11H10BrFN2S
Molecular Weight301.18 g/mol
Exact Mass299.97
IUPAC Name1-[2-(4-bromo-2-fluorophenyl)-1,3-thiazol-4-yl]-N-methylmethanamine
SMILESCNCc1csc(-c2ccc(Br)cc2F)n1
InChIInChI=1S/C11H10BrFN2S/c1-14-5-8-6-16-11(15-8)9-3-2-7(12)4-10(9)13/h2-4,6,14H,5H2,1H3
InChIKeyVAHNFEFWFIRBDP-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

2-(5-bromo-2-fluorophenyl)-4-(2-chloroethyl)-1,3-thiazole
CID 116889010
1-[2-(5-bromo-2-fluorophenyl)-1,3-thiazol-4-yl]propan-2-amine
CID 116888202
1-[2-(5-bromo-2-fluorophenyl)-1,3-thiazol-4-yl]propan-2-one
CID 116890267
2-[2-(5-bromo-2-methylphenyl)-1,3-thiazol-4-yl]-N-methylethanamine
CID 116888139
1-[5-(4-bromo-2-chlorophenyl)-1,2-oxazol-3-yl]-N-methylmethanamine
CID 82781042
ethyl 2-(4-bromo-2-fluorophenyl)-1,3-thiazole-4-carboxylate
CID 114905320
1-[2-(5-bromoquinolin-8-yl)-1,3-thiazol-4-yl]-N-methylmethanamine
CID 112618320
N-[[2-(2-fluoro-4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]propan-2-amine
CID 81303969
1-(4-bromo-2-fluorophenyl)-N-methylmethanamine
CID 43090177
2-[2-(2,5-difluorophenyl)-1,3-thiazol-4-yl]-N-methylethanamine
CID 114275577
[3-[4-(4-bromo-2-fluorophenyl)-1,3-thiazol-2-yl]phenyl]methanamine
CID 82954381
2-[2-(5-bromo-2-methoxyphenyl)-1,3-thiazol-4-yl]-N-methylethanamine
CID 116888128

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-bromo-2-fluorophenyl)-1,3-thiazol-4-yl]-N-methylmethanamine?
The IUPAC name of 1-[2-(4-bromo-2-fluorophenyl)-1,3-thiazol-4-yl]-N-methylmethanamine (CID 114906976) is 1-[2-(4-bromo-2-fluorophenyl)-1,3-thiazol-4-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(4-bromo-2-fluorophenyl)-1,3-thiazol-4-yl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(4-bromo-2-fluorophenyl)-1,3-thiazol-4-yl]-N-methylmethanamine is CNCc1csc(-c2ccc(Br)cc2F)n1.
What is the InChIKey of 1-[2-(4-bromo-2-fluorophenyl)-1,3-thiazol-4-yl]-N-methylmethanamine?
The InChIKey is VAHNFEFWFIRBDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrFN2S/c1-14-5-8-6-16-11(15-8)9-3-2-7(12)4-10(9)13/h2-4,6,14H,5H2,1H3.
What are the key properties of 1-[2-(4-bromo-2-fluorophenyl)-1,3-thiazol-4-yl]-N-methylmethanamine?
1-[2-(4-bromo-2-fluorophenyl)-1,3-thiazol-4-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-(4-bromo-2-fluorophenyl)-1,3-thiazol-4-yl]-N-methylmethanamine is sourced from PubChem (CID 114906976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).