2-fluoro-N-(1,3-thiazol-2-ylmethyl)-7H-purin-6-amine

C9H7FN6S — CID 134480963

IUPAC2-fluoro-N-(1,3-thiazol-2-ylmethyl)-7H-purin-6-amine
SMILESFc1nc(NCc2nccs2)c2[nH]cnc2n1
InChIInChI=1S/C9H7FN6S/c10-9-15-7(6-8(16-9)14-4-13-6)12-3-5-11-1-2-17-5/h1-2,4H,3H2,(H2,12,13,14,15,16)
InChIKeyLRAIDTKETSHCPV-UHFFFAOYSA-N
MW250.26 g/mol
LogP1.56
Rot. Bonds3

About 2-fluoro-N-(1,3-thiazol-2-ylmethyl)-7H-purin-6-amine

2-fluoro-N-(1,3-thiazol-2-ylmethyl)-7H-purin-6-amine (PubChem CID 134480963) has the molecular formula C9H7FN6S and a molecular weight of 250.26 g/mol. Its IUPAC name is 2-fluoro-N-(1,3-thiazol-2-ylmethyl)-7H-purin-6-amine.

Molecular Properties

Compound Name2-fluoro-N-(1,3-thiazol-2-ylmethyl)-7H-purin-6-amine
PubChem CID134480963
Molecular FormulaC9H7FN6S
Molecular Weight250.26 g/mol
Exact Mass250.04
IUPAC Name2-fluoro-N-(1,3-thiazol-2-ylmethyl)-7H-purin-6-amine
SMILESFc1nc(NCc2nccs2)c2[nH]cnc2n1
InChIInChI=1S/C9H7FN6S/c10-9-15-7(6-8(16-9)14-4-13-6)12-3-5-11-1-2-17-5/h1-2,4H,3H2,(H2,12,13,14,15,16)
InChIKeyLRAIDTKETSHCPV-UHFFFAOYSA-N
XLogP1.56
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(1,3-thiazol-2-ylmethyl)-7H-purin-6-amine?
The IUPAC name of 2-fluoro-N-(1,3-thiazol-2-ylmethyl)-7H-purin-6-amine (CID 134480963) is 2-fluoro-N-(1,3-thiazol-2-ylmethyl)-7H-purin-6-amine.
What is the SMILES notation for 2-fluoro-N-(1,3-thiazol-2-ylmethyl)-7H-purin-6-amine?
The canonical SMILES for 2-fluoro-N-(1,3-thiazol-2-ylmethyl)-7H-purin-6-amine is Fc1nc(NCc2nccs2)c2[nH]cnc2n1.
What is the InChIKey of 2-fluoro-N-(1,3-thiazol-2-ylmethyl)-7H-purin-6-amine?
The InChIKey is LRAIDTKETSHCPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FN6S/c10-9-15-7(6-8(16-9)14-4-13-6)12-3-5-11-1-2-17-5/h1-2,4H,3H2,(H2,12,13,14,15,16).
What are the key properties of 2-fluoro-N-(1,3-thiazol-2-ylmethyl)-7H-purin-6-amine?
2-fluoro-N-(1,3-thiazol-2-ylmethyl)-7H-purin-6-amine has a molecular weight of 250.26 g/mol, XLogP of 1.56, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(1,3-thiazol-2-ylmethyl)-7H-purin-6-amine is sourced from PubChem (CID 134480963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).