N-(2,2-difluoroethyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine

C7H6F2N4S — CID 127000096

IUPACN-(2,2-difluoroethyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine
SMILESFC(F)CNc1ncnc2scnc12
InChIInChI=1S/C7H6F2N4S/c8-4(9)1-10-6-5-7(12-2-11-6)14-3-13-5/h2-4H,1H2,(H,10,11,12)
InChIKeyAGTQXVVCIXKUJY-UHFFFAOYSA-N
MW216.22 g/mol
LogP1.76
Rot. Bonds3

About N-(2,2-difluoroethyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine

N-(2,2-difluoroethyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine (PubChem CID 127000096) has the molecular formula C7H6F2N4S and a molecular weight of 216.22 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine
PubChem CID127000096
Molecular FormulaC7H6F2N4S
Molecular Weight216.22 g/mol
Exact Mass216.03
IUPAC NameN-(2,2-difluoroethyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine
SMILESFC(F)CNc1ncnc2scnc12
InChIInChI=1S/C7H6F2N4S/c8-4(9)1-10-6-5-7(12-2-11-6)14-3-13-5/h2-4H,1H2,(H,10,11,12)
InChIKeyAGTQXVVCIXKUJY-UHFFFAOYSA-N
XLogP1.76
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.22
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine?
The IUPAC name of N-(2,2-difluoroethyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine (CID 127000096) is N-(2,2-difluoroethyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine.
What is the SMILES notation for N-(2,2-difluoroethyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine?
The canonical SMILES for N-(2,2-difluoroethyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine is FC(F)CNc1ncnc2scnc12.
What is the InChIKey of N-(2,2-difluoroethyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine?
The InChIKey is AGTQXVVCIXKUJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F2N4S/c8-4(9)1-10-6-5-7(12-2-11-6)14-3-13-5/h2-4H,1H2,(H,10,11,12).
What are the key properties of N-(2,2-difluoroethyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine?
N-(2,2-difluoroethyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine has a molecular weight of 216.22 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine is sourced from PubChem (CID 127000096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).