1-(3-bromophenyl)-N-methyl-1-(4-methyl-1,3-thiazol-2-yl)methanamine

C12H13BrN2S — CID 61332500

IUPAC1-(3-bromophenyl)-N-methyl-1-(4-methyl-1,3-thiazol-2-yl)methanamine
SMILESCNC(c1cccc(Br)c1)c1nc(C)cs1
InChIInChI=1S/C12H13BrN2S/c1-8-7-16-12(15-8)11(14-2)9-4-3-5-10(13)6-9/h3-7,11,14H,1-2H3
InChIKeyHBOBTUAIZYZPED-UHFFFAOYSA-N
MW297.22 g/mol
LogP3.52
Rot. Bonds3

About 1-(3-bromophenyl)-N-methyl-1-(4-methyl-1,3-thiazol-2-yl)methanamine

1-(3-bromophenyl)-N-methyl-1-(4-methyl-1,3-thiazol-2-yl)methanamine (PubChem CID 61332500) has the molecular formula C12H13BrN2S and a molecular weight of 297.22 g/mol. Its IUPAC name is 1-(3-bromophenyl)-N-methyl-1-(4-methyl-1,3-thiazol-2-yl)methanamine.

Molecular Properties

Compound Name1-(3-bromophenyl)-N-methyl-1-(4-methyl-1,3-thiazol-2-yl)methanamine
PubChem CID61332500
Molecular FormulaC12H13BrN2S
Molecular Weight297.22 g/mol
Exact Mass296.00
IUPAC Name1-(3-bromophenyl)-N-methyl-1-(4-methyl-1,3-thiazol-2-yl)methanamine
SMILESCNC(c1cccc(Br)c1)c1nc(C)cs1
InChIInChI=1S/C12H13BrN2S/c1-8-7-16-12(15-8)11(14-2)9-4-3-5-10(13)6-9/h3-7,11,14H,1-2H3
InChIKeyHBOBTUAIZYZPED-UHFFFAOYSA-N
XLogP3.52
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.22
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromophenyl)-1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylmethanamine
CID 61332321
1-(5-bromo-2-methoxyphenyl)-N-methyl-1-(4-methyl-1,3-thiazol-2-yl)methanamine
CID 61332307
N-[(3-bromophenyl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]propan-2-amine
CID 61335804
1-(3-bromophenyl)-N-methyl-1-pyrimidin-5-ylmethanamine
CID 62491207
1-(4,5-dibromothiophen-2-yl)-N-methyl-1-(4-methyl-1,3-thiazol-2-yl)methanamine
CID 102842851
N-[(3-fluorophenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]propan-2-amine
CID 61333244
1-(3-bromophenyl)-1-(4-bromothiophen-3-yl)-N-methylmethanamine
CID 79595205
1-(4-bromo-3-methylphenyl)-1-(4-tert-butyl-1,3-thiazol-2-yl)-N-methylmethanamine
CID 66481594
1-(3-bromophenyl)-N-methyl-1-(2-methylphenyl)methanamine
CID 60819031
1-(3-bromophenyl)-1-(3,4-dichlorophenyl)-N-methylmethanamine
CID 43486480
1-(3-bromophenyl)-1-(4-fluoro-3,5-dimethylphenyl)-N-methylmethanamine
CID 65299050
1-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-methyl-1-(4-methyl-1,3-thiazol-2-yl)methanamine
CID 61331525

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-N-methyl-1-(4-methyl-1,3-thiazol-2-yl)methanamine?
The IUPAC name of 1-(3-bromophenyl)-N-methyl-1-(4-methyl-1,3-thiazol-2-yl)methanamine (CID 61332500) is 1-(3-bromophenyl)-N-methyl-1-(4-methyl-1,3-thiazol-2-yl)methanamine.
What is the SMILES notation for 1-(3-bromophenyl)-N-methyl-1-(4-methyl-1,3-thiazol-2-yl)methanamine?
The canonical SMILES for 1-(3-bromophenyl)-N-methyl-1-(4-methyl-1,3-thiazol-2-yl)methanamine is CNC(c1cccc(Br)c1)c1nc(C)cs1.
What is the InChIKey of 1-(3-bromophenyl)-N-methyl-1-(4-methyl-1,3-thiazol-2-yl)methanamine?
The InChIKey is HBOBTUAIZYZPED-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2S/c1-8-7-16-12(15-8)11(14-2)9-4-3-5-10(13)6-9/h3-7,11,14H,1-2H3.
What are the key properties of 1-(3-bromophenyl)-N-methyl-1-(4-methyl-1,3-thiazol-2-yl)methanamine?
1-(3-bromophenyl)-N-methyl-1-(4-methyl-1,3-thiazol-2-yl)methanamine has a molecular weight of 297.22 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-N-methyl-1-(4-methyl-1,3-thiazol-2-yl)methanamine is sourced from PubChem (CID 61332500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).