N-(5-bromo-4-methyl-2-pyridinyl)-4,5-dimethyl-1,3-thiazol-2-amine

C11H12BrN3S — CID 114870325

IUPACN-(5-bromo-4-methyl-2-pyridinyl)-4,5-dimethyl-1,3-thiazol-2-amine
SMILESCc1cc(Nc2nc(C)c(C)s2)ncc1Br
InChIInChI=1S/C11H12BrN3S/c1-6-4-10(13-5-9(6)12)15-11-14-7(2)8(3)16-11/h4-5H,1-3H3,(H,13,14,15)
InChIKeyDLPHNGBZNZJJKA-UHFFFAOYSA-N
MW298.21 g/mol
LogP3.97
Rot. Bonds2

About N-(5-bromo-4-methyl-2-pyridinyl)-4,5-dimethyl-1,3-thiazol-2-amine

N-(5-bromo-4-methyl-2-pyridinyl)-4,5-dimethyl-1,3-thiazol-2-amine (PubChem CID 114870325) has the molecular formula C11H12BrN3S and a molecular weight of 298.21 g/mol. Its IUPAC name is N-(5-bromo-4-methyl-2-pyridinyl)-4,5-dimethyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(5-bromo-4-methyl-2-pyridinyl)-4,5-dimethyl-1,3-thiazol-2-amine
PubChem CID114870325
Molecular FormulaC11H12BrN3S
Molecular Weight298.21 g/mol
Exact Mass296.99
IUPAC NameN-(5-bromo-4-methyl-2-pyridinyl)-4,5-dimethyl-1,3-thiazol-2-amine
SMILESCc1cc(Nc2nc(C)c(C)s2)ncc1Br
InChIInChI=1S/C11H12BrN3S/c1-6-4-10(13-5-9(6)12)15-11-14-7(2)8(3)16-11/h4-5H,1-3H3,(H,13,14,15)
InChIKeyDLPHNGBZNZJJKA-UHFFFAOYSA-N
XLogP3.97
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.21
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(5-bromo-4-methyl-2-pyridinyl)-4,5-dimethyl-1,3-thiazol-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

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-4-methyl-2-pyridinyl)-4,5-dimethyl-1,3-thiazol-2-amine?
The IUPAC name of N-(5-bromo-4-methyl-2-pyridinyl)-4,5-dimethyl-1,3-thiazol-2-amine (CID 114870325) is N-(5-bromo-4-methyl-2-pyridinyl)-4,5-dimethyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-(5-bromo-4-methyl-2-pyridinyl)-4,5-dimethyl-1,3-thiazol-2-amine?
The canonical SMILES for N-(5-bromo-4-methyl-2-pyridinyl)-4,5-dimethyl-1,3-thiazol-2-amine is Cc1cc(Nc2nc(C)c(C)s2)ncc1Br.
What is the InChIKey of N-(5-bromo-4-methyl-2-pyridinyl)-4,5-dimethyl-1,3-thiazol-2-amine?
The InChIKey is DLPHNGBZNZJJKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3S/c1-6-4-10(13-5-9(6)12)15-11-14-7(2)8(3)16-11/h4-5H,1-3H3,(H,13,14,15).
What are the key properties of N-(5-bromo-4-methyl-2-pyridinyl)-4,5-dimethyl-1,3-thiazol-2-amine?
N-(5-bromo-4-methyl-2-pyridinyl)-4,5-dimethyl-1,3-thiazol-2-amine has a molecular weight of 298.21 g/mol, XLogP of 3.97, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-4-methyl-2-pyridinyl)-4,5-dimethyl-1,3-thiazol-2-amine is sourced from PubChem (CID 114870325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).