5-bromo-4-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]pyridin-2-amine

C11H12BrN3S — CID 115774025

IUPAC5-bromo-4-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]pyridin-2-amine
SMILESCc1cc(NCCc2nccs2)ncc1Br
InChIInChI=1S/C11H12BrN3S/c1-8-6-10(15-7-9(8)12)13-3-2-11-14-4-5-16-11/h4-7H,2-3H2,1H3,(H,13,15)
InChIKeyIZVAQDXVMDOCQB-UHFFFAOYSA-N
MW298.21 g/mol
LogP3.26
Rot. Bonds4

About 5-bromo-4-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]pyridin-2-amine

5-bromo-4-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]pyridin-2-amine (PubChem CID 115774025) has the molecular formula C11H12BrN3S and a molecular weight of 298.21 g/mol. Its IUPAC name is 5-bromo-4-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-4-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]pyridin-2-amine
PubChem CID115774025
Molecular FormulaC11H12BrN3S
Molecular Weight298.21 g/mol
Exact Mass296.99
IUPAC Name5-bromo-4-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]pyridin-2-amine
SMILESCc1cc(NCCc2nccs2)ncc1Br
InChIInChI=1S/C11H12BrN3S/c1-8-6-10(15-7-9(8)12)13-3-2-11-14-4-5-16-11/h4-7H,2-3H2,1H3,(H,13,15)
InChIKeyIZVAQDXVMDOCQB-UHFFFAOYSA-N
XLogP3.26
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.21
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-bromo-4-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]pyridin-2-amine 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

2-bromo-4-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]aniline
CID 82124615
3-[(5-bromo-4-methyl-2-pyridinyl)amino]propan-1-ol
CID 53409461
5-bromo-4-methyl-N-pentylpyridin-2-amine
CID 70003079
N'-(5-bromo-4-methyl-2-pyridinyl)-N-propylethane-1,2-diamine
CID 114869496
N'-(5-bromo-4-methyl-2-pyridinyl)butane-1,4-diamine
CID 114869070
4-methyl-2-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-2,5-diamine
CID 79176329
5-bromo-N-[2-(cyclopenten-1-yl)ethyl]-4-methylpyridin-2-amine
CID 106173773
5-bromo-4-methyl-N-[(E)-pent-3-enyl]pyridin-2-amine
CID 115774111
5-bromo-4-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidine-2,4-diamine
CID 80827758
5-bromo-4-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]pyridin-2-amine
CID 113340028
5-bromo-N-[3-(1H-imidazol-2-yl)propyl]-4-methylpyridin-2-amine
CID 114869393
5-bromo-4-methyl-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]pyridin-2-amine
CID 133403761

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]pyridin-2-amine?
The IUPAC name of 5-bromo-4-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]pyridin-2-amine (CID 115774025) is 5-bromo-4-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]pyridin-2-amine.
What is the SMILES notation for 5-bromo-4-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]pyridin-2-amine?
The canonical SMILES for 5-bromo-4-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]pyridin-2-amine is Cc1cc(NCCc2nccs2)ncc1Br.
What is the InChIKey of 5-bromo-4-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]pyridin-2-amine?
The InChIKey is IZVAQDXVMDOCQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3S/c1-8-6-10(15-7-9(8)12)13-3-2-11-14-4-5-16-11/h4-7H,2-3H2,1H3,(H,13,15).
What are the key properties of 5-bromo-4-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]pyridin-2-amine?
5-bromo-4-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]pyridin-2-amine has a molecular weight of 298.21 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]pyridin-2-amine is sourced from PubChem (CID 115774025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).