1-[2-[(4-bromophenyl)methyl]-1,3-thiazol-4-yl]-N-methylethanamine

C13H15BrN2S — CID 64543267

IUPAC1-[2-[(4-bromophenyl)methyl]-1,3-thiazol-4-yl]-N-methylethanamine
SMILESCNC(C)c1csc(Cc2ccc(Br)cc2)n1
InChIInChI=1S/C13H15BrN2S/c1-9(15-2)12-8-17-13(16-12)7-10-3-5-11(14)6-4-10/h3-6,8-9,15H,7H2,1-2H3
InChIKeyZEHJQMHXKFBHJT-UHFFFAOYSA-N
MW311.25 g/mol
LogP3.78
Rot. Bonds4

About 1-[2-[(4-bromophenyl)methyl]-1,3-thiazol-4-yl]-N-methylethanamine

1-[2-[(4-bromophenyl)methyl]-1,3-thiazol-4-yl]-N-methylethanamine (PubChem CID 64543267) has the molecular formula C13H15BrN2S and a molecular weight of 311.25 g/mol. Its IUPAC name is 1-[2-[(4-bromophenyl)methyl]-1,3-thiazol-4-yl]-N-methylethanamine.

Molecular Properties

Compound Name1-[2-[(4-bromophenyl)methyl]-1,3-thiazol-4-yl]-N-methylethanamine
PubChem CID64543267
Molecular FormulaC13H15BrN2S
Molecular Weight311.25 g/mol
Exact Mass310.01
IUPAC Name1-[2-[(4-bromophenyl)methyl]-1,3-thiazol-4-yl]-N-methylethanamine
SMILESCNC(C)c1csc(Cc2ccc(Br)cc2)n1
InChIInChI=1S/C13H15BrN2S/c1-9(15-2)12-8-17-13(16-12)7-10-3-5-11(14)6-4-10/h3-6,8-9,15H,7H2,1-2H3
InChIKeyZEHJQMHXKFBHJT-UHFFFAOYSA-N
XLogP3.78
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.25
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[2-[(4-methoxyphenyl)methyl]-1,3-thiazol-4-yl]ethyl]propan-1-amine
CID 64542673
2-[(4-bromophenyl)methyl]-1,3-thiazol-4-amine
CID 83107524
1-[2-[(4-methylphenyl)methyl]-1,3-thiazol-4-yl]ethanamine
CID 64545487
N-[[2-[(4-bromophenyl)methyl]-1,3-thiazol-4-yl]methyl]ethanamine
CID 61281443
methyl 2-[(4-bromophenyl)methyl]-1,3-thiazole-4-carboxylate
CID 53407511
1-[2-[(3-bromophenyl)methyl]-1,3-thiazol-4-yl]ethanol
CID 64543314
2-[2-[(4-bromophenyl)methyl]-1,3-thiazol-4-yl]ethanamine
CID 62928440
4-[1-(methylamino)ethyl]-1,3-thiazol-2-amine
CID 64543676
diphenyl-[4-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]phenyl]phosphane;hydroiodide
CID 173348317
4-[(4-bromophenyl)methyl]-2-methyl-1,3-thiazole
CID 58762168
2-[(4-chlorophenyl)methyl]-4-(difluoromethyl)-1,3-thiazole
CID 167769634
N-methyl-1-[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]ethanamine
CID 64543468

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4-bromophenyl)methyl]-1,3-thiazol-4-yl]-N-methylethanamine?
The IUPAC name of 1-[2-[(4-bromophenyl)methyl]-1,3-thiazol-4-yl]-N-methylethanamine (CID 64543267) is 1-[2-[(4-bromophenyl)methyl]-1,3-thiazol-4-yl]-N-methylethanamine.
What is the SMILES notation for 1-[2-[(4-bromophenyl)methyl]-1,3-thiazol-4-yl]-N-methylethanamine?
The canonical SMILES for 1-[2-[(4-bromophenyl)methyl]-1,3-thiazol-4-yl]-N-methylethanamine is CNC(C)c1csc(Cc2ccc(Br)cc2)n1.
What is the InChIKey of 1-[2-[(4-bromophenyl)methyl]-1,3-thiazol-4-yl]-N-methylethanamine?
The InChIKey is ZEHJQMHXKFBHJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2S/c1-9(15-2)12-8-17-13(16-12)7-10-3-5-11(14)6-4-10/h3-6,8-9,15H,7H2,1-2H3.
What are the key properties of 1-[2-[(4-bromophenyl)methyl]-1,3-thiazol-4-yl]-N-methylethanamine?
1-[2-[(4-bromophenyl)methyl]-1,3-thiazol-4-yl]-N-methylethanamine has a molecular weight of 311.25 g/mol, XLogP of 3.78, 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)methyl]-1,3-thiazol-4-yl]-N-methylethanamine is sourced from PubChem (CID 64543267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).