1-[4-[(4-bromo-3,5-dimethylphenoxy)methyl]-1,3-thiazol-2-yl]-N-methylmethanamine

C14H17BrN2OS — CID 107726525

IUPAC1-[4-[(4-bromo-3,5-dimethylphenoxy)methyl]-1,3-thiazol-2-yl]-N-methylmethanamine
SMILESCNCc1nc(COc2cc(C)c(Br)c(C)c2)cs1
InChIInChI=1S/C14H17BrN2OS/c1-9-4-12(5-10(2)14(9)15)18-7-11-8-19-13(17-11)6-16-3/h4-5,8,16H,6-7H2,1-3H3
InChIKeyUPPFHCPDZMOBKU-UHFFFAOYSA-N
MW341.27 g/mol
LogP3.82
Rot. Bonds5

About 1-[4-[(4-bromo-3,5-dimethylphenoxy)methyl]-1,3-thiazol-2-yl]-N-methylmethanamine

1-[4-[(4-bromo-3,5-dimethylphenoxy)methyl]-1,3-thiazol-2-yl]-N-methylmethanamine (PubChem CID 107726525) has the molecular formula C14H17BrN2OS and a molecular weight of 341.27 g/mol. Its IUPAC name is 1-[4-[(4-bromo-3,5-dimethylphenoxy)methyl]-1,3-thiazol-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-[(4-bromo-3,5-dimethylphenoxy)methyl]-1,3-thiazol-2-yl]-N-methylmethanamine
PubChem CID107726525
Molecular FormulaC14H17BrN2OS
Molecular Weight341.27 g/mol
Exact Mass340.02
IUPAC Name1-[4-[(4-bromo-3,5-dimethylphenoxy)methyl]-1,3-thiazol-2-yl]-N-methylmethanamine
SMILESCNCc1nc(COc2cc(C)c(Br)c(C)c2)cs1
InChIInChI=1S/C14H17BrN2OS/c1-9-4-12(5-10(2)14(9)15)18-7-11-8-19-13(17-11)6-16-3/h4-5,8,16H,6-7H2,1-3H3
InChIKeyUPPFHCPDZMOBKU-UHFFFAOYSA-N
XLogP3.82
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.27
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[4-[(4-bromo-3,5-dimethylphenoxy)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

1-[4-[(3,4-dichlorophenoxy)methyl]-1,3-thiazol-2-yl]-N-methylmethanamine
CID 62485760
1-[4-[(2,5-dibromo-4-methoxyphenoxy)methyl]-1,3-thiazol-2-yl]-N-methylmethanamine
CID 79403792
1-[4-[(3-chlorophenoxy)methyl]-1,3-thiazol-2-yl]-N-methylmethanamine
CID 55076708
N-[[4-[(4-bromo-3-methylphenoxy)methyl]-1,3-thiazol-2-yl]methyl]propan-2-amine
CID 83135292
[4-[(4-bromo-3-methylphenoxy)methyl]-1,3-thiazol-2-yl]methanamine
CID 83134833
1-[4-[[4-fluoro-3-(trifluoromethyl)phenoxy]methyl]-1,3-thiazol-2-yl]-N-methylmethanamine
CID 102747439
2-[3-(4-bromo-3,5-dimethylphenoxy)propyl]-4-(chloromethyl)-1,3-thiazole
CID 107725433
N-[[4-[(3,5-dimethylphenoxy)methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine
CID 62453588
N-[[4-[(3,5-dimethylphenoxy)methyl]-1,3-thiazol-2-yl]methyl]propan-1-amine
CID 62453410
1-[5-[(4-bromo-3,5-dimethylphenoxy)methyl]thiophen-2-yl]-N-methylmethanamine
CID 107726394
1-[4-[(2-ethyl-1,3-thiazol-4-yl)methoxy]phenyl]-N-methylmethanamine
CID 54955994
N-[[4-[(3,5-dichlorophenoxy)methyl]-1,3-thiazol-2-yl]methyl]propan-1-amine
CID 62484845

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-bromo-3,5-dimethylphenoxy)methyl]-1,3-thiazol-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[4-[(4-bromo-3,5-dimethylphenoxy)methyl]-1,3-thiazol-2-yl]-N-methylmethanamine (CID 107726525) is 1-[4-[(4-bromo-3,5-dimethylphenoxy)methyl]-1,3-thiazol-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-[(4-bromo-3,5-dimethylphenoxy)methyl]-1,3-thiazol-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[4-[(4-bromo-3,5-dimethylphenoxy)methyl]-1,3-thiazol-2-yl]-N-methylmethanamine is CNCc1nc(COc2cc(C)c(Br)c(C)c2)cs1.
What is the InChIKey of 1-[4-[(4-bromo-3,5-dimethylphenoxy)methyl]-1,3-thiazol-2-yl]-N-methylmethanamine?
The InChIKey is UPPFHCPDZMOBKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2OS/c1-9-4-12(5-10(2)14(9)15)18-7-11-8-19-13(17-11)6-16-3/h4-5,8,16H,6-7H2,1-3H3.
What are the key properties of 1-[4-[(4-bromo-3,5-dimethylphenoxy)methyl]-1,3-thiazol-2-yl]-N-methylmethanamine?
1-[4-[(4-bromo-3,5-dimethylphenoxy)methyl]-1,3-thiazol-2-yl]-N-methylmethanamine has a molecular weight of 341.27 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4-bromo-3,5-dimethylphenoxy)methyl]-1,3-thiazol-2-yl]-N-methylmethanamine is sourced from PubChem (CID 107726525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).