1-(3-bromophenyl)-N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]methanamine

C15H19BrN2S — CID 115597102

IUPAC1-(3-bromophenyl)-N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]methanamine
SMILESCC(C)(C)c1nc(CNCc2cccc(Br)c2)cs1
InChIInChI=1S/C15H19BrN2S/c1-15(2,3)14-18-13(10-19-14)9-17-8-11-5-4-6-12(16)7-11/h4-7,10,17H,8-9H2,1-3H3
InChIKeyRFARXHMDJUYCOW-UHFFFAOYSA-N
MW339.30 g/mol
LogP4.49
Rot. Bonds4

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

1-(3-bromophenyl)-N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]methanamine (PubChem CID 115597102) has the molecular formula C15H19BrN2S and a molecular weight of 339.30 g/mol. Its IUPAC name is 1-(3-bromophenyl)-N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(3-bromophenyl)-N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]methanamine
PubChem CID115597102
Molecular FormulaC15H19BrN2S
Molecular Weight339.30 g/mol
Exact Mass338.05
IUPAC Name1-(3-bromophenyl)-N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]methanamine
SMILESCC(C)(C)c1nc(CNCc2cccc(Br)c2)cs1
InChIInChI=1S/C15H19BrN2S/c1-15(2,3)14-18-13(10-19-14)9-17-8-11-5-4-6-12(16)7-11/h4-7,10,17H,8-9H2,1-3H3
InChIKeyRFARXHMDJUYCOW-UHFFFAOYSA-N
XLogP4.49
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.30
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3-bromophenyl)-N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]methanamine 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-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-phenylmethanamine
CID 115586423
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-(3-ethoxyphenyl)methanamine
CID 115586619
3-[[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]methyl]benzamide
CID 115591998
(1S)-1-(3-bromophenyl)-N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]ethanamine
CID 104862921
4-[[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]methyl]benzoic acid
CID 120509449
N-[(4-bromo-1,2-thiazol-5-yl)methyl]-1-(2-tert-butyl-1,3-thiazol-4-yl)methanamine
CID 136559950
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-[4-(methylsulfonylmethyl)phenyl]methanamine
CID 51120109
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-(1H-pyrazol-4-yl)methanamine
CID 115603242
1-(3-bromophenyl)-N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]methanamine
CID 83082889
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]prop-2-yn-1-amine
CID 115614174
2-bromo-N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]prop-2-en-1-amine
CID 115614724
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-(1H-pyrazol-5-yl)methanamine
CID 115607824

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]methanamine?
The IUPAC name of 1-(3-bromophenyl)-N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]methanamine (CID 115597102) is 1-(3-bromophenyl)-N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]methanamine.
What is the SMILES notation for 1-(3-bromophenyl)-N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]methanamine?
The canonical SMILES for 1-(3-bromophenyl)-N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]methanamine is CC(C)(C)c1nc(CNCc2cccc(Br)c2)cs1.
What is the InChIKey of 1-(3-bromophenyl)-N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]methanamine?
The InChIKey is RFARXHMDJUYCOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2S/c1-15(2,3)14-18-13(10-19-14)9-17-8-11-5-4-6-12(16)7-11/h4-7,10,17H,8-9H2,1-3H3.
What are the key properties of 1-(3-bromophenyl)-N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]methanamine?
1-(3-bromophenyl)-N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]methanamine has a molecular weight of 339.30 g/mol, XLogP of 4.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]methanamine is sourced from PubChem (CID 115597102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).