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

C10H11BrN4S — CID 103517887

IUPAC5-bromo-4-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyridine-3,4-diamine
SMILESCc1csc(CNc2c(N)cncc2Br)n1
InChIInChI=1S/C10H11BrN4S/c1-6-5-16-9(15-6)4-14-10-7(11)2-13-3-8(10)12/h2-3,5H,4,12H2,1H3,(H,13,14)
InChIKeyFGKOFYGMCRDZIM-UHFFFAOYSA-N
MW299.20 g/mol
LogP2.80
Rot. Bonds3

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

5-bromo-4-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyridine-3,4-diamine (PubChem CID 103517887) has the molecular formula C10H11BrN4S and a molecular weight of 299.20 g/mol. Its IUPAC name is 5-bromo-4-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyridine-3,4-diamine.

Molecular Properties

Compound Name5-bromo-4-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyridine-3,4-diamine
PubChem CID103517887
Molecular FormulaC10H11BrN4S
Molecular Weight299.20 g/mol
Exact Mass297.99
IUPAC Name5-bromo-4-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyridine-3,4-diamine
SMILESCc1csc(CNc2c(N)cncc2Br)n1
InChIInChI=1S/C10H11BrN4S/c1-6-5-16-9(15-6)4-14-10-7(11)2-13-3-8(10)12/h2-3,5H,4,12H2,1H3,(H,13,14)
InChIKeyFGKOFYGMCRDZIM-UHFFFAOYSA-N
XLogP2.80
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.20
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-4-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-3,4-diamine
CID 103518204
2,3,4,5,6-pentafluoro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]aniline
CID 60706687
3-amino-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]benzamide
CID 112578497
4,6-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidin-2-amine
CID 60733825
N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyridin-3-amine
CID 82539208
N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidin-2-amine
CID 60706641
1-[(3-amino-5-bromo-4-pyridinyl)amino]propan-2-ol
CID 103517707
5-bromo-4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyridine-3,4-diamine
CID 106369404
3-bromo-4-fluoro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]aniline
CID 115688112
4-methyl-5-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2-thiazole-3,5-diamine
CID 103359286
4-methyl-2-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-2,5-diamine
CID 79176329
5,6-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrazin-2-amine
CID 114475451

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyridine-3,4-diamine?
The IUPAC name of 5-bromo-4-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyridine-3,4-diamine (CID 103517887) is 5-bromo-4-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyridine-3,4-diamine.
What is the SMILES notation for 5-bromo-4-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyridine-3,4-diamine?
The canonical SMILES for 5-bromo-4-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyridine-3,4-diamine is Cc1csc(CNc2c(N)cncc2Br)n1.
What is the InChIKey of 5-bromo-4-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyridine-3,4-diamine?
The InChIKey is FGKOFYGMCRDZIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN4S/c1-6-5-16-9(15-6)4-14-10-7(11)2-13-3-8(10)12/h2-3,5H,4,12H2,1H3,(H,13,14).
What are the key properties of 5-bromo-4-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyridine-3,4-diamine?
5-bromo-4-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyridine-3,4-diamine has a molecular weight of 299.20 g/mol, XLogP of 2.80, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyridine-3,4-diamine is sourced from PubChem (CID 103517887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).