5-(2-fluoroethyl)-[1,3]thiazolo[4,5-d]pyrimidine-2,7-diamine

C7H8FN5S — CID 22649051

IUPAC5-(2-fluoroethyl)-[1,3]thiazolo[4,5-d]pyrimidine-2,7-diamine
SMILESNc1nc2nc(CCF)nc(N)c2s1
InChIInChI=1S/C7H8FN5S/c8-2-1-3-11-5(9)4-6(12-3)13-7(10)14-4/h1-2H2,(H4,9,10,11,12,13)
InChIKeyYNLMUZIKKOCHTD-UHFFFAOYSA-N
MW213.24 g/mol
LogP0.76
Rot. Bonds2

About 5-(2-fluoroethyl)-[1,3]thiazolo[4,5-d]pyrimidine-2,7-diamine

5-(2-fluoroethyl)-[1,3]thiazolo[4,5-d]pyrimidine-2,7-diamine (PubChem CID 22649051) has the molecular formula C7H8FN5S and a molecular weight of 213.24 g/mol. Its IUPAC name is 5-(2-fluoroethyl)-[1,3]thiazolo[4,5-d]pyrimidine-2,7-diamine.

Molecular Properties

Compound Name5-(2-fluoroethyl)-[1,3]thiazolo[4,5-d]pyrimidine-2,7-diamine
PubChem CID22649051
Molecular FormulaC7H8FN5S
Molecular Weight213.24 g/mol
Exact Mass213.05
IUPAC Name5-(2-fluoroethyl)-[1,3]thiazolo[4,5-d]pyrimidine-2,7-diamine
SMILESNc1nc2nc(CCF)nc(N)c2s1
InChIInChI=1S/C7H8FN5S/c8-2-1-3-11-5(9)4-6(12-3)13-7(10)14-4/h1-2H2,(H4,9,10,11,12,13)
InChIKeyYNLMUZIKKOCHTD-UHFFFAOYSA-N
XLogP0.76
TPSA90.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(2-fluoroethyl)-[1,3]thiazolo[4,5-d]pyrimidine-2,7-diamine?
The IUPAC name of 5-(2-fluoroethyl)-[1,3]thiazolo[4,5-d]pyrimidine-2,7-diamine (CID 22649051) is 5-(2-fluoroethyl)-[1,3]thiazolo[4,5-d]pyrimidine-2,7-diamine.
What is the SMILES notation for 5-(2-fluoroethyl)-[1,3]thiazolo[4,5-d]pyrimidine-2,7-diamine?
The canonical SMILES for 5-(2-fluoroethyl)-[1,3]thiazolo[4,5-d]pyrimidine-2,7-diamine is Nc1nc2nc(CCF)nc(N)c2s1.
What is the InChIKey of 5-(2-fluoroethyl)-[1,3]thiazolo[4,5-d]pyrimidine-2,7-diamine?
The InChIKey is YNLMUZIKKOCHTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8FN5S/c8-2-1-3-11-5(9)4-6(12-3)13-7(10)14-4/h1-2H2,(H4,9,10,11,12,13).
What are the key properties of 5-(2-fluoroethyl)-[1,3]thiazolo[4,5-d]pyrimidine-2,7-diamine?
5-(2-fluoroethyl)-[1,3]thiazolo[4,5-d]pyrimidine-2,7-diamine has a molecular weight of 213.24 g/mol, XLogP of 0.76, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluoroethyl)-[1,3]thiazolo[4,5-d]pyrimidine-2,7-diamine is sourced from PubChem (CID 22649051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).