4-[[(2-chloro-5-fluoro-6-hydrazinylpyrimidin-4-yl)-methylamino]methyl]-1,3-thiazol-2-amine

C9H11ClFN7S — CID 86637023

IUPAC4-[[(2-chloro-5-fluoro-6-hydrazinylpyrimidin-4-yl)-methylamino]methyl]-1,3-thiazol-2-amine
SMILESCN(Cc1csc(N)n1)c1nc(Cl)nc(NN)c1F
InChIInChI=1S/C9H11ClFN7S/c1-18(2-4-3-19-9(12)14-4)7-5(11)6(17-13)15-8(10)16-7/h3H,2,13H2,1H3,(H2,12,14)(H,15,16,17)
InChIKeyXTWPOJWBBZBHPI-UHFFFAOYSA-N
MW303.75 g/mol
LogP1.23
Rot. Bonds4

About 4-[[(2-chloro-5-fluoro-6-hydrazinylpyrimidin-4-yl)-methylamino]methyl]-1,3-thiazol-2-amine

4-[[(2-chloro-5-fluoro-6-hydrazinylpyrimidin-4-yl)-methylamino]methyl]-1,3-thiazol-2-amine (PubChem CID 86637023) has the molecular formula C9H11ClFN7S and a molecular weight of 303.75 g/mol. Its IUPAC name is 4-[[(2-chloro-5-fluoro-6-hydrazinylpyrimidin-4-yl)-methylamino]methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[[(2-chloro-5-fluoro-6-hydrazinylpyrimidin-4-yl)-methylamino]methyl]-1,3-thiazol-2-amine
PubChem CID86637023
Molecular FormulaC9H11ClFN7S
Molecular Weight303.75 g/mol
Exact Mass303.05
IUPAC Name4-[[(2-chloro-5-fluoro-6-hydrazinylpyrimidin-4-yl)-methylamino]methyl]-1,3-thiazol-2-amine
SMILESCN(Cc1csc(N)n1)c1nc(Cl)nc(NN)c1F
InChIInChI=1S/C9H11ClFN7S/c1-18(2-4-3-19-9(12)14-4)7-5(11)6(17-13)15-8(10)16-7/h3H,2,13H2,1H3,(H2,12,14)(H,15,16,17)
InChIKeyXTWPOJWBBZBHPI-UHFFFAOYSA-N
XLogP1.23
TPSA105.98 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.75
LogP ≤ 51.23
H-Bond Donors ≤ 53
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-[[(2-chloro-5-fluoro-6-hydrazinylpyrimidin-4-yl)-methylamino]methyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[[(2-chloro-5-fluoro-6-hydrazinylpyrimidin-4-yl)-methylamino]methyl]-1,3-thiazol-2-amine (CID 86637023) is 4-[[(2-chloro-5-fluoro-6-hydrazinylpyrimidin-4-yl)-methylamino]methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[[(2-chloro-5-fluoro-6-hydrazinylpyrimidin-4-yl)-methylamino]methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[[(2-chloro-5-fluoro-6-hydrazinylpyrimidin-4-yl)-methylamino]methyl]-1,3-thiazol-2-amine is CN(Cc1csc(N)n1)c1nc(Cl)nc(NN)c1F.
What is the InChIKey of 4-[[(2-chloro-5-fluoro-6-hydrazinylpyrimidin-4-yl)-methylamino]methyl]-1,3-thiazol-2-amine?
The InChIKey is XTWPOJWBBZBHPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClFN7S/c1-18(2-4-3-19-9(12)14-4)7-5(11)6(17-13)15-8(10)16-7/h3H,2,13H2,1H3,(H2,12,14)(H,15,16,17).
What are the key properties of 4-[[(2-chloro-5-fluoro-6-hydrazinylpyrimidin-4-yl)-methylamino]methyl]-1,3-thiazol-2-amine?
4-[[(2-chloro-5-fluoro-6-hydrazinylpyrimidin-4-yl)-methylamino]methyl]-1,3-thiazol-2-amine has a molecular weight of 303.75 g/mol, XLogP of 1.23, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2-chloro-5-fluoro-6-hydrazinylpyrimidin-4-yl)-methylamino]methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 86637023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).