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

C14H18BrN3S — CID 62412253

IUPAC1-[4-[[(4-bromophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]-N-methylmethanamine
SMILESCNCc1nc(CN(C)Cc2ccc(Br)cc2)cs1
InChIInChI=1S/C14H18BrN3S/c1-16-7-14-17-13(10-19-14)9-18(2)8-11-3-5-12(15)6-4-11/h3-6,10,16H,7-9H2,1-2H3
InChIKeyDAVUZZAUKOXNDG-UHFFFAOYSA-N
MW340.29 g/mol
LogP3.26
Rot. Bonds6

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

1-[4-[[(4-bromophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]-N-methylmethanamine (PubChem CID 62412253) has the molecular formula C14H18BrN3S and a molecular weight of 340.29 g/mol. Its IUPAC name is 1-[4-[[(4-bromophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-[[(4-bromophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]-N-methylmethanamine
PubChem CID62412253
Molecular FormulaC14H18BrN3S
Molecular Weight340.29 g/mol
Exact Mass339.04
IUPAC Name1-[4-[[(4-bromophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]-N-methylmethanamine
SMILESCNCc1nc(CN(C)Cc2ccc(Br)cc2)cs1
InChIInChI=1S/C14H18BrN3S/c1-16-7-14-17-13(10-19-14)9-18(2)8-11-3-5-12(15)6-4-11/h3-6,10,16H,7-9H2,1-2H3
InChIKeyDAVUZZAUKOXNDG-UHFFFAOYSA-N
XLogP3.26
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.29
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[4-[[(4-bromophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]-N-methylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[4-[[(4-bromophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]methyl]ethanamine
CID 62412254
1-[4-[[benzyl(methyl)amino]methyl]-1,3-thiazol-2-yl]-N-methylmethanamine
CID 62423104
N-[[4-[[(4-bromophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine
CID 62412429
N-[[4-[[(4-fluorophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]methyl]propan-2-amine
CID 62411292
N,2,2-trimethyl-N-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methyl]propan-1-amine
CID 62461023
4-fluoro-N-methyl-N-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methyl]aniline
CID 62436403
N-[[4-[[(4-chlorophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]methyl]propan-2-amine
CID 62412531
N-[[4-[[(3-bromophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]methyl]ethanamine
CID 62462709
N,2-dimethyl-N-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methyl]butan-1-amine
CID 62420743
N-benzyl-N-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methyl]ethanamine
CID 62419468
N,4-dimethyl-N-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methyl]aniline
CID 62429443
N-methyl-N-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methyl]-2-propan-2-yloxyethanamine
CID 81068191

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[(4-bromophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[4-[[(4-bromophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]-N-methylmethanamine (CID 62412253) is 1-[4-[[(4-bromophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-[[(4-bromophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[4-[[(4-bromophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]-N-methylmethanamine is CNCc1nc(CN(C)Cc2ccc(Br)cc2)cs1.
What is the InChIKey of 1-[4-[[(4-bromophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]-N-methylmethanamine?
The InChIKey is DAVUZZAUKOXNDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3S/c1-16-7-14-17-13(10-19-14)9-18(2)8-11-3-5-12(15)6-4-11/h3-6,10,16H,7-9H2,1-2H3.
What are the key properties of 1-[4-[[(4-bromophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]-N-methylmethanamine?
1-[4-[[(4-bromophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]-N-methylmethanamine has a molecular weight of 340.29 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[(4-bromophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]-N-methylmethanamine is sourced from PubChem (CID 62412253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).