5-bromo-N-(thian-3-ylmethyl)pyridin-2-amine

C11H15BrN2S — CID 130956227

IUPAC5-bromo-N-(thian-3-ylmethyl)pyridin-2-amine
SMILESBrc1ccc(NCC2CCCSC2)nc1
InChIInChI=1S/C11H15BrN2S/c12-10-3-4-11(14-7-10)13-6-9-2-1-5-15-8-9/h3-4,7,9H,1-2,5-6,8H2,(H,13,14)
InChIKeyVLEJSXWCRBYCOS-UHFFFAOYSA-N
MW287.23 g/mol
LogP3.40
Rot. Bonds3

About 5-bromo-N-(thian-3-ylmethyl)pyridin-2-amine

5-bromo-N-(thian-3-ylmethyl)pyridin-2-amine (PubChem CID 130956227) has the molecular formula C11H15BrN2S and a molecular weight of 287.23 g/mol. Its IUPAC name is 5-bromo-N-(thian-3-ylmethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-(thian-3-ylmethyl)pyridin-2-amine
PubChem CID130956227
Molecular FormulaC11H15BrN2S
Molecular Weight287.23 g/mol
Exact Mass286.01
IUPAC Name5-bromo-N-(thian-3-ylmethyl)pyridin-2-amine
SMILESBrc1ccc(NCC2CCCSC2)nc1
InChIInChI=1S/C11H15BrN2S/c12-10-3-4-11(14-7-10)13-6-9-2-1-5-15-8-9/h3-4,7,9H,1-2,5-6,8H2,(H,13,14)
InChIKeyVLEJSXWCRBYCOS-UHFFFAOYSA-N
XLogP3.40
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.23
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-bromo-N-(thian-3-ylmethyl)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

5-bromo-N-(1,4-dithian-2-ylmethyl)pyridin-2-amine
CID 115689549
5-bromo-N-[(3-chlorocyclohexyl)methyl]pyridin-2-amine
CID 106125146
5-phenyl-N-(thian-3-ylmethyl)pyrazin-2-amine
CID 166225530
5-tert-butyl-N-(thiolan-3-ylmethyl)pyridin-2-amine
CID 114011625
5-bromo-N-(piperidin-4-ylmethyl)pyridin-2-amine;hydrochloride
CID 71636378
4-bromo-N-(thiolan-3-ylmethyl)pyridin-2-amine
CID 130692096
5-bromo-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine
CID 62542194
5-bromo-N-[[(2R)-oxolan-2-yl]methyl]pyridin-2-amine
CID 29266636
5-bromo-N-[[(2S)-oxolan-2-yl]methyl]pyridin-2-amine
CID 29266634
5-bromo-2-N-(thiolan-3-ylmethyl)pyridine-2,3-diamine
CID 107294937
4-methyl-2-N-(thiolan-3-ylmethyl)pyridine-2,5-diamine
CID 107294876
4-bromo-2-methyl-N-(thiolan-3-ylmethyl)aniline
CID 107131146

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(thian-3-ylmethyl)pyridin-2-amine?
The IUPAC name of 5-bromo-N-(thian-3-ylmethyl)pyridin-2-amine (CID 130956227) is 5-bromo-N-(thian-3-ylmethyl)pyridin-2-amine.
What is the SMILES notation for 5-bromo-N-(thian-3-ylmethyl)pyridin-2-amine?
The canonical SMILES for 5-bromo-N-(thian-3-ylmethyl)pyridin-2-amine is Brc1ccc(NCC2CCCSC2)nc1.
What is the InChIKey of 5-bromo-N-(thian-3-ylmethyl)pyridin-2-amine?
The InChIKey is VLEJSXWCRBYCOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2S/c12-10-3-4-11(14-7-10)13-6-9-2-1-5-15-8-9/h3-4,7,9H,1-2,5-6,8H2,(H,13,14).
What are the key properties of 5-bromo-N-(thian-3-ylmethyl)pyridin-2-amine?
5-bromo-N-(thian-3-ylmethyl)pyridin-2-amine has a molecular weight of 287.23 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(thian-3-ylmethyl)pyridin-2-amine is sourced from PubChem (CID 130956227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).