1-[2-(4-bromophenyl)-5-phenyl-1,3-thiazol-4-yl]-N-methylmethanamine

C17H15BrN2S — CID 64716452

IUPAC1-[2-(4-bromophenyl)-5-phenyl-1,3-thiazol-4-yl]-N-methylmethanamine
SMILESCNCc1nc(-c2ccc(Br)cc2)sc1-c1ccccc1
InChIInChI=1S/C17H15BrN2S/c1-19-11-15-16(12-5-3-2-4-6-12)21-17(20-15)13-7-9-14(18)10-8-13/h2-10,19H,11H2,1H3
InChIKeyORHFNHCYYYEUGU-UHFFFAOYSA-N
MW359.29 g/mol
LogP4.96
Rot. Bonds4

About 1-[2-(4-bromophenyl)-5-phenyl-1,3-thiazol-4-yl]-N-methylmethanamine

1-[2-(4-bromophenyl)-5-phenyl-1,3-thiazol-4-yl]-N-methylmethanamine (PubChem CID 64716452) has the molecular formula C17H15BrN2S and a molecular weight of 359.29 g/mol. Its IUPAC name is 1-[2-(4-bromophenyl)-5-phenyl-1,3-thiazol-4-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(4-bromophenyl)-5-phenyl-1,3-thiazol-4-yl]-N-methylmethanamine
PubChem CID64716452
Molecular FormulaC17H15BrN2S
Molecular Weight359.29 g/mol
Exact Mass358.01
IUPAC Name1-[2-(4-bromophenyl)-5-phenyl-1,3-thiazol-4-yl]-N-methylmethanamine
SMILESCNCc1nc(-c2ccc(Br)cc2)sc1-c1ccccc1
InChIInChI=1S/C17H15BrN2S/c1-19-11-15-16(12-5-3-2-4-6-12)21-17(20-15)13-7-9-14(18)10-8-13/h2-10,19H,11H2,1H3
InChIKeyORHFNHCYYYEUGU-UHFFFAOYSA-N
XLogP4.96
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.29
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-bromophenyl)-5-phenyl-1,3-thiazol-4-yl]-N-methylmethanamine?
The IUPAC name of 1-[2-(4-bromophenyl)-5-phenyl-1,3-thiazol-4-yl]-N-methylmethanamine (CID 64716452) is 1-[2-(4-bromophenyl)-5-phenyl-1,3-thiazol-4-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(4-bromophenyl)-5-phenyl-1,3-thiazol-4-yl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(4-bromophenyl)-5-phenyl-1,3-thiazol-4-yl]-N-methylmethanamine is CNCc1nc(-c2ccc(Br)cc2)sc1-c1ccccc1.
What is the InChIKey of 1-[2-(4-bromophenyl)-5-phenyl-1,3-thiazol-4-yl]-N-methylmethanamine?
The InChIKey is ORHFNHCYYYEUGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN2S/c1-19-11-15-16(12-5-3-2-4-6-12)21-17(20-15)13-7-9-14(18)10-8-13/h2-10,19H,11H2,1H3.
What are the key properties of 1-[2-(4-bromophenyl)-5-phenyl-1,3-thiazol-4-yl]-N-methylmethanamine?
1-[2-(4-bromophenyl)-5-phenyl-1,3-thiazol-4-yl]-N-methylmethanamine has a molecular weight of 359.29 g/mol, XLogP of 4.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-bromophenyl)-5-phenyl-1,3-thiazol-4-yl]-N-methylmethanamine is sourced from PubChem (CID 64716452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).