1-[2-(3-bromo-5-fluorophenyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]-N-methylmethanamine

C15H18BrFN2S — CID 114368371

IUPAC1-[2-(3-bromo-5-fluorophenyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]-N-methylmethanamine
SMILESCNCc1sc(-c2cc(F)cc(Br)c2)nc1CC(C)C
InChIInChI=1S/C15H18BrFN2S/c1-9(2)4-13-14(8-18-3)20-15(19-13)10-5-11(16)7-12(17)6-10/h5-7,9,18H,4,8H2,1-3H3
InChIKeyAONAWLMTXQMHLV-UHFFFAOYSA-N
MW357.29 g/mol
LogP4.63
Rot. Bonds5

About 1-[2-(3-bromo-5-fluorophenyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]-N-methylmethanamine

1-[2-(3-bromo-5-fluorophenyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]-N-methylmethanamine (PubChem CID 114368371) has the molecular formula C15H18BrFN2S and a molecular weight of 357.29 g/mol. Its IUPAC name is 1-[2-(3-bromo-5-fluorophenyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(3-bromo-5-fluorophenyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]-N-methylmethanamine
PubChem CID114368371
Molecular FormulaC15H18BrFN2S
Molecular Weight357.29 g/mol
Exact Mass356.04
IUPAC Name1-[2-(3-bromo-5-fluorophenyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]-N-methylmethanamine
SMILESCNCc1sc(-c2cc(F)cc(Br)c2)nc1CC(C)C
InChIInChI=1S/C15H18BrFN2S/c1-9(2)4-13-14(8-18-3)20-15(19-13)10-5-11(16)7-12(17)6-10/h5-7,9,18H,4,8H2,1-3H3
InChIKeyAONAWLMTXQMHLV-UHFFFAOYSA-N
XLogP4.63
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.29
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(3-bromo-5-fluorophenyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 114368711
N-[[2-(3-bromo-5-fluorophenyl)-4-ethyl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 104841562
1-[2-(3,5-difluorophenyl)-4-ethyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 104841167
N-[[2-(3-bromo-5-fluorophenyl)-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 114363835
1-[2-(3,5-dibromo-2-pyridinyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114368392
1-[2-(2-bromo-6-fluorophenyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114887813
N-[[2-(3-bromo-5-fluorophenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 114366403
1-[2-(3-fluoro-5-methylphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114364913
1-[2-[(3-bromophenyl)methyl]-4-(2-methylpropyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114368430
N-[[2-(3-bromo-5-fluorophenyl)-4-cyclopropyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 114367216
1-[4-ethyl-2-(3-fluoro-4-methylphenyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 104841103
1-[2-(3-fluorophenyl)-4-propan-2-yl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114364905

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-bromo-5-fluorophenyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]-N-methylmethanamine?
The IUPAC name of 1-[2-(3-bromo-5-fluorophenyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]-N-methylmethanamine (CID 114368371) is 1-[2-(3-bromo-5-fluorophenyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(3-bromo-5-fluorophenyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(3-bromo-5-fluorophenyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]-N-methylmethanamine is CNCc1sc(-c2cc(F)cc(Br)c2)nc1CC(C)C.
What is the InChIKey of 1-[2-(3-bromo-5-fluorophenyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]-N-methylmethanamine?
The InChIKey is AONAWLMTXQMHLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrFN2S/c1-9(2)4-13-14(8-18-3)20-15(19-13)10-5-11(16)7-12(17)6-10/h5-7,9,18H,4,8H2,1-3H3.
What are the key properties of 1-[2-(3-bromo-5-fluorophenyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]-N-methylmethanamine?
1-[2-(3-bromo-5-fluorophenyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]-N-methylmethanamine has a molecular weight of 357.29 g/mol, XLogP of 4.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-bromo-5-fluorophenyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]-N-methylmethanamine is sourced from PubChem (CID 114368371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).