4-[[(5-fluoro-6-hydrazinyl-2-methylpyrimidin-4-yl)amino]methyl]-1,3-thiazol-2-amine

C9H12FN7S — CID 86636960

IUPAC4-[[(5-fluoro-6-hydrazinyl-2-methylpyrimidin-4-yl)amino]methyl]-1,3-thiazol-2-amine
SMILESCc1nc(NN)c(F)c(NCc2csc(N)n2)n1
InChIInChI=1S/C9H12FN7S/c1-4-14-7(6(10)8(15-4)17-12)13-2-5-3-18-9(11)16-5/h3H,2,12H2,1H3,(H2,11,16)(H2,13,14,15,17)
InChIKeyILDDTQAGJHKWLM-UHFFFAOYSA-N
MW269.31 g/mol
LogP0.86
Rot. Bonds4

About 4-[[(5-fluoro-6-hydrazinyl-2-methylpyrimidin-4-yl)amino]methyl]-1,3-thiazol-2-amine

4-[[(5-fluoro-6-hydrazinyl-2-methylpyrimidin-4-yl)amino]methyl]-1,3-thiazol-2-amine (PubChem CID 86636960) has the molecular formula C9H12FN7S and a molecular weight of 269.31 g/mol. Its IUPAC name is 4-[[(5-fluoro-6-hydrazinyl-2-methylpyrimidin-4-yl)amino]methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[[(5-fluoro-6-hydrazinyl-2-methylpyrimidin-4-yl)amino]methyl]-1,3-thiazol-2-amine
PubChem CID86636960
Molecular FormulaC9H12FN7S
Molecular Weight269.31 g/mol
Exact Mass269.09
IUPAC Name4-[[(5-fluoro-6-hydrazinyl-2-methylpyrimidin-4-yl)amino]methyl]-1,3-thiazol-2-amine
SMILESCc1nc(NN)c(F)c(NCc2csc(N)n2)n1
InChIInChI=1S/C9H12FN7S/c1-4-14-7(6(10)8(15-4)17-12)13-2-5-3-18-9(11)16-5/h3H,2,12H2,1H3,(H2,11,16)(H2,13,14,15,17)
InChIKeyILDDTQAGJHKWLM-UHFFFAOYSA-N
XLogP0.86
TPSA114.77 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 50.86
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[[(5-fluoro-6-hydrazinyl-2-methylpyrimidin-4-yl)amino]methyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[[(5-fluoro-6-hydrazinyl-2-methylpyrimidin-4-yl)amino]methyl]-1,3-thiazol-2-amine (CID 86636960) is 4-[[(5-fluoro-6-hydrazinyl-2-methylpyrimidin-4-yl)amino]methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[[(5-fluoro-6-hydrazinyl-2-methylpyrimidin-4-yl)amino]methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[[(5-fluoro-6-hydrazinyl-2-methylpyrimidin-4-yl)amino]methyl]-1,3-thiazol-2-amine is Cc1nc(NN)c(F)c(NCc2csc(N)n2)n1.
What is the InChIKey of 4-[[(5-fluoro-6-hydrazinyl-2-methylpyrimidin-4-yl)amino]methyl]-1,3-thiazol-2-amine?
The InChIKey is ILDDTQAGJHKWLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FN7S/c1-4-14-7(6(10)8(15-4)17-12)13-2-5-3-18-9(11)16-5/h3H,2,12H2,1H3,(H2,11,16)(H2,13,14,15,17).
What are the key properties of 4-[[(5-fluoro-6-hydrazinyl-2-methylpyrimidin-4-yl)amino]methyl]-1,3-thiazol-2-amine?
4-[[(5-fluoro-6-hydrazinyl-2-methylpyrimidin-4-yl)amino]methyl]-1,3-thiazol-2-amine has a molecular weight of 269.31 g/mol, XLogP of 0.86, 4 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(5-fluoro-6-hydrazinyl-2-methylpyrimidin-4-yl)amino]methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 86636960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).