1-(6-bromo-2-pyridinyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine

C11H12BrN3S — CID 112582362

IUPAC1-(6-bromo-2-pyridinyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine
SMILESCc1ncsc1CNCc1cccc(Br)n1
InChIInChI=1S/C11H12BrN3S/c1-8-10(16-7-14-8)6-13-5-9-3-2-4-11(12)15-9/h2-4,7,13H,5-6H2,1H3
InChIKeyDJLIUQQKPRFKBM-UHFFFAOYSA-N
MW298.21 g/mol
LogP2.90
Rot. Bonds4

About 1-(6-bromo-2-pyridinyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine

1-(6-bromo-2-pyridinyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine (PubChem CID 112582362) has the molecular formula C11H12BrN3S and a molecular weight of 298.21 g/mol. Its IUPAC name is 1-(6-bromo-2-pyridinyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(6-bromo-2-pyridinyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine
PubChem CID112582362
Molecular FormulaC11H12BrN3S
Molecular Weight298.21 g/mol
Exact Mass296.99
IUPAC Name1-(6-bromo-2-pyridinyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine
SMILESCc1ncsc1CNCc1cccc(Br)n1
InChIInChI=1S/C11H12BrN3S/c1-8-10(16-7-14-8)6-13-5-9-3-2-4-11(12)15-9/h2-4,7,13H,5-6H2,1H3
InChIKeyDJLIUQQKPRFKBM-UHFFFAOYSA-N
XLogP2.90
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 ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

1-(3-bromophenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine
CID 63280012
6-bromo-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridine-2-carboxamide
CID 103875321
1-(6-bromo-2-pyridinyl)-N-[(4-methylthiophen-3-yl)methyl]methanamine
CID 112582506
[4-[[(4-methyl-1,3-thiazol-5-yl)methylamino]methyl]-1,3-thiazol-2-yl]methanamine
CID 66378687
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-(4-methyl-1,3-thiazol-5-yl)methanamine
CID 64540582
N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-(2-pyridin-2-yl-1,3-thiazol-4-yl)methanamine
CID 63280035
N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-(5-methylthiophen-2-yl)methanamine
CID 63280280
1-(2-bromo-4-fluorophenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine
CID 103698709
N-[(6-bromo-2-pyridinyl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 112582356
N-[[6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxymethyl]-2-pyridinyl]methyl]propan-1-amine
CID 106907682
1-[3-(difluoromethyl)phenyl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine
CID 113328749
N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine
CID 55173216

Frequently Asked Questions

What is the IUPAC name of 1-(6-bromo-2-pyridinyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine?
The IUPAC name of 1-(6-bromo-2-pyridinyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine (CID 112582362) is 1-(6-bromo-2-pyridinyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine.
What is the SMILES notation for 1-(6-bromo-2-pyridinyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine?
The canonical SMILES for 1-(6-bromo-2-pyridinyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine is Cc1ncsc1CNCc1cccc(Br)n1.
What is the InChIKey of 1-(6-bromo-2-pyridinyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine?
The InChIKey is DJLIUQQKPRFKBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3S/c1-8-10(16-7-14-8)6-13-5-9-3-2-4-11(12)15-9/h2-4,7,13H,5-6H2,1H3.
What are the key properties of 1-(6-bromo-2-pyridinyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine?
1-(6-bromo-2-pyridinyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine has a molecular weight of 298.21 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bromo-2-pyridinyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine is sourced from PubChem (CID 112582362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).