1-(2-bromo-5-chlorophenyl)-N-methyl-1-(1,3-thiazol-2-yl)methanamine

C11H10BrClN2S — CID 66157853

IUPAC1-(2-bromo-5-chlorophenyl)-N-methyl-1-(1,3-thiazol-2-yl)methanamine
SMILESCNC(c1nccs1)c1cc(Cl)ccc1Br
InChIInChI=1S/C11H10BrClN2S/c1-14-10(11-15-4-5-16-11)8-6-7(13)2-3-9(8)12/h2-6,10,14H,1H3
InChIKeyRMDUOZJPMGWXCQ-UHFFFAOYSA-N
MW317.64 g/mol
LogP3.87
Rot. Bonds3

About 1-(2-bromo-5-chlorophenyl)-N-methyl-1-(1,3-thiazol-2-yl)methanamine

1-(2-bromo-5-chlorophenyl)-N-methyl-1-(1,3-thiazol-2-yl)methanamine (PubChem CID 66157853) has the molecular formula C11H10BrClN2S and a molecular weight of 317.64 g/mol. Its IUPAC name is 1-(2-bromo-5-chlorophenyl)-N-methyl-1-(1,3-thiazol-2-yl)methanamine.

Molecular Properties

Compound Name1-(2-bromo-5-chlorophenyl)-N-methyl-1-(1,3-thiazol-2-yl)methanamine
PubChem CID66157853
Molecular FormulaC11H10BrClN2S
Molecular Weight317.64 g/mol
Exact Mass315.94
IUPAC Name1-(2-bromo-5-chlorophenyl)-N-methyl-1-(1,3-thiazol-2-yl)methanamine
SMILESCNC(c1nccs1)c1cc(Cl)ccc1Br
InChIInChI=1S/C11H10BrClN2S/c1-14-10(11-15-4-5-16-11)8-6-7(13)2-3-9(8)12/h2-6,10,14H,1H3
InChIKeyRMDUOZJPMGWXCQ-UHFFFAOYSA-N
XLogP3.87
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.64
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-bromo-5-chlorophenyl)-(1,3-thiazol-2-yl)methyl]cyclopropanamine
CID 66156470
1-(3-chloro-4-fluorophenyl)-N-methyl-1-(1,3-thiazol-2-yl)methanamine
CID 81154688
N-[(5-chloro-2-fluorophenyl)-(1,3-thiazol-2-yl)methyl]propan-1-amine
CID 114859186
(1S)-1-(2-bromo-5-chlorophenyl)-N-methylethanamine
CID 131168067
1-(4-fluoro-2-methylphenyl)-N-methyl-1-(1,3-thiazol-2-yl)methanamine
CID 62135503
N-[(2-bromo-5-chlorophenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]propan-2-amine
CID 66156268
N-methyl-1-(3-methylthiophen-2-yl)-1-(1,3-thiazol-2-yl)methanamine
CID 61346189
N-[(3-bromo-4-chlorophenyl)-(1,3-thiazol-2-yl)methyl]ethanamine
CID 83230059
1-(2-bromophenyl)-1-(2,5-dichlorophenyl)-N-methylmethanamine
CID 43486700
1-(4-bromo-2-chlorophenyl)-N-[1-(1,3-thiazol-2-yl)ethyl]ethanamine
CID 82774634
1-(2-bromo-5-methylphenyl)-1-(4-chlorophenyl)-N-methylmethanamine
CID 81109537
N-methyl-1-naphthalen-2-yl-1-(1,3-thiazol-2-yl)methanamine
CID 61330720

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-chlorophenyl)-N-methyl-1-(1,3-thiazol-2-yl)methanamine?
The IUPAC name of 1-(2-bromo-5-chlorophenyl)-N-methyl-1-(1,3-thiazol-2-yl)methanamine (CID 66157853) is 1-(2-bromo-5-chlorophenyl)-N-methyl-1-(1,3-thiazol-2-yl)methanamine.
What is the SMILES notation for 1-(2-bromo-5-chlorophenyl)-N-methyl-1-(1,3-thiazol-2-yl)methanamine?
The canonical SMILES for 1-(2-bromo-5-chlorophenyl)-N-methyl-1-(1,3-thiazol-2-yl)methanamine is CNC(c1nccs1)c1cc(Cl)ccc1Br.
What is the InChIKey of 1-(2-bromo-5-chlorophenyl)-N-methyl-1-(1,3-thiazol-2-yl)methanamine?
The InChIKey is RMDUOZJPMGWXCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrClN2S/c1-14-10(11-15-4-5-16-11)8-6-7(13)2-3-9(8)12/h2-6,10,14H,1H3.
What are the key properties of 1-(2-bromo-5-chlorophenyl)-N-methyl-1-(1,3-thiazol-2-yl)methanamine?
1-(2-bromo-5-chlorophenyl)-N-methyl-1-(1,3-thiazol-2-yl)methanamine has a molecular weight of 317.64 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-chlorophenyl)-N-methyl-1-(1,3-thiazol-2-yl)methanamine is sourced from PubChem (CID 66157853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).