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

C11H12BrN3S — CID 75421859

IUPAC5-bromo-N-[3-(1,3-thiazol-2-yl)propyl]pyridin-2-amine
SMILESBrc1ccc(NCCCc2nccs2)nc1
InChIInChI=1S/C11H12BrN3S/c12-9-3-4-10(15-8-9)13-5-1-2-11-14-6-7-16-11/h3-4,6-8H,1-2,5H2,(H,13,15)
InChIKeyFHADJYYITALLEG-UHFFFAOYSA-N
MW298.21 g/mol
LogP3.35
Rot. Bonds5

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

5-bromo-N-[3-(1,3-thiazol-2-yl)propyl]pyridin-2-amine (PubChem CID 75421859) has the molecular formula C11H12BrN3S and a molecular weight of 298.21 g/mol. Its IUPAC name is 5-bromo-N-[3-(1,3-thiazol-2-yl)propyl]pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-[3-(1,3-thiazol-2-yl)propyl]pyridin-2-amine
PubChem CID75421859
Molecular FormulaC11H12BrN3S
Molecular Weight298.21 g/mol
Exact Mass296.99
IUPAC Name5-bromo-N-[3-(1,3-thiazol-2-yl)propyl]pyridin-2-amine
SMILESBrc1ccc(NCCCc2nccs2)nc1
InChIInChI=1S/C11H12BrN3S/c12-9-3-4-10(15-8-9)13-5-1-2-11-14-6-7-16-11/h3-4,6-8H,1-2,5H2,(H,13,15)
InChIKeyFHADJYYITALLEG-UHFFFAOYSA-N
XLogP3.35
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.21
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-bromo-N-pent-4-ynylpyridin-2-amine
CID 103704439
5-bromo-N-(2-pyridin-4-ylethyl)pyridin-2-amine
CID 60904047
5-bromo-N-[(3-bromothiophen-2-yl)methyl]pyridin-2-amine
CID 78999146
5-bromo-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyridin-2-amine
CID 62040259
2-methyl-N-[3-(1,3-thiazol-2-yl)propyl]propan-2-amine
CID 79823969
5-bromo-4-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]pyridin-2-amine
CID 115774025
7-[(5-bromo-2-pyridinyl)amino]heptanoic acid
CID 24701669
6-[(5-bromo-2-pyridinyl)amino]hexanoic acid
CID 24704054
N'-(5-bromo-2-pyridinyl)-N-propylethane-1,2-diamine
CID 62662670
5-bromo-N-(3,3,3-trifluoropropyl)pyridin-2-amine
CID 63226685
3-[(5-bromo-2-pyridinyl)amino]propyl hydrogen sulfite
CID 174853714
5-bromo-N-[2-(1-methylimidazol-2-yl)ethyl]pyridin-2-amine
CID 61210542

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[3-(1,3-thiazol-2-yl)propyl]pyridin-2-amine?
The IUPAC name of 5-bromo-N-[3-(1,3-thiazol-2-yl)propyl]pyridin-2-amine (CID 75421859) is 5-bromo-N-[3-(1,3-thiazol-2-yl)propyl]pyridin-2-amine.
What is the SMILES notation for 5-bromo-N-[3-(1,3-thiazol-2-yl)propyl]pyridin-2-amine?
The canonical SMILES for 5-bromo-N-[3-(1,3-thiazol-2-yl)propyl]pyridin-2-amine is Brc1ccc(NCCCc2nccs2)nc1.
What is the InChIKey of 5-bromo-N-[3-(1,3-thiazol-2-yl)propyl]pyridin-2-amine?
The InChIKey is FHADJYYITALLEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3S/c12-9-3-4-10(15-8-9)13-5-1-2-11-14-6-7-16-11/h3-4,6-8H,1-2,5H2,(H,13,15).
What are the key properties of 5-bromo-N-[3-(1,3-thiazol-2-yl)propyl]pyridin-2-amine?
5-bromo-N-[3-(1,3-thiazol-2-yl)propyl]pyridin-2-amine has a molecular weight of 298.21 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[3-(1,3-thiazol-2-yl)propyl]pyridin-2-amine is sourced from PubChem (CID 75421859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).