5-bromo-4-N-[2-(1,3-thiazol-2-yl)ethyl]pyridine-3,4-diamine

C10H11BrN4S — CID 103518122

IUPAC5-bromo-4-N-[2-(1,3-thiazol-2-yl)ethyl]pyridine-3,4-diamine
SMILESNc1cncc(Br)c1NCCc1nccs1
InChIInChI=1S/C10H11BrN4S/c11-7-5-13-6-8(12)10(7)15-2-1-9-14-3-4-16-9/h3-6H,1-2,12H2,(H,13,15)
InChIKeyLIXYXJFYGHLIGU-UHFFFAOYSA-N
MW299.20 g/mol
LogP2.54
Rot. Bonds4

About 5-bromo-4-N-[2-(1,3-thiazol-2-yl)ethyl]pyridine-3,4-diamine

5-bromo-4-N-[2-(1,3-thiazol-2-yl)ethyl]pyridine-3,4-diamine (PubChem CID 103518122) has the molecular formula C10H11BrN4S and a molecular weight of 299.20 g/mol. Its IUPAC name is 5-bromo-4-N-[2-(1,3-thiazol-2-yl)ethyl]pyridine-3,4-diamine.

Molecular Properties

Compound Name5-bromo-4-N-[2-(1,3-thiazol-2-yl)ethyl]pyridine-3,4-diamine
PubChem CID103518122
Molecular FormulaC10H11BrN4S
Molecular Weight299.20 g/mol
Exact Mass297.99
IUPAC Name5-bromo-4-N-[2-(1,3-thiazol-2-yl)ethyl]pyridine-3,4-diamine
SMILESNc1cncc(Br)c1NCCc1nccs1
InChIInChI=1S/C10H11BrN4S/c11-7-5-13-6-8(12)10(7)15-2-1-9-14-3-4-16-9/h3-6H,1-2,12H2,(H,13,15)
InChIKeyLIXYXJFYGHLIGU-UHFFFAOYSA-N
XLogP2.54
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.20
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-4-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidine-2,4-diamine
CID 80827758
3,4-difluoro-2-N-[2-(1,3-thiazol-2-yl)ethyl]benzene-1,2-diamine
CID 63242145
5-bromo-4-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyridine-3,4-diamine
CID 103517887
5-bromo-4-N-[3-(dimethylamino)propyl]pyridine-3,4-diamine
CID 103517564
4-N-[2-(1,3-thiazol-2-yl)ethyl]benzene-1,2,4-triamine
CID 106750805
5-bromo-4-N-[2-(3-methylphenyl)ethyl]pyridine-3,4-diamine
CID 103518035
5-bromo-4-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]pyridin-2-amine
CID 115774025
5-methyl-2-N-[2-(1,3-thiazol-2-yl)ethyl]pyridine-2,3-diamine
CID 66278017
5-bromo-4-N-[2-(triazol-1-yl)ethyl]pyridine-3,4-diamine
CID 103518447
4-bromo-3-[[2-(1,3-thiazol-2-yl)ethylamino]methyl]aniline
CID 115297731
5-bromo-4-N-(3-imidazol-1-ylpropyl)pyridine-3,4-diamine
CID 103517575
2-amino-4-[2-(1,3-thiazol-2-yl)ethylamino]benzenesulfonamide
CID 79466616

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-N-[2-(1,3-thiazol-2-yl)ethyl]pyridine-3,4-diamine?
The IUPAC name of 5-bromo-4-N-[2-(1,3-thiazol-2-yl)ethyl]pyridine-3,4-diamine (CID 103518122) is 5-bromo-4-N-[2-(1,3-thiazol-2-yl)ethyl]pyridine-3,4-diamine.
What is the SMILES notation for 5-bromo-4-N-[2-(1,3-thiazol-2-yl)ethyl]pyridine-3,4-diamine?
The canonical SMILES for 5-bromo-4-N-[2-(1,3-thiazol-2-yl)ethyl]pyridine-3,4-diamine is Nc1cncc(Br)c1NCCc1nccs1.
What is the InChIKey of 5-bromo-4-N-[2-(1,3-thiazol-2-yl)ethyl]pyridine-3,4-diamine?
The InChIKey is LIXYXJFYGHLIGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN4S/c11-7-5-13-6-8(12)10(7)15-2-1-9-14-3-4-16-9/h3-6H,1-2,12H2,(H,13,15).
What are the key properties of 5-bromo-4-N-[2-(1,3-thiazol-2-yl)ethyl]pyridine-3,4-diamine?
5-bromo-4-N-[2-(1,3-thiazol-2-yl)ethyl]pyridine-3,4-diamine has a molecular weight of 299.20 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-N-[2-(1,3-thiazol-2-yl)ethyl]pyridine-3,4-diamine is sourced from PubChem (CID 103518122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).