5-(2-chloro-4-fluorophenoxy)-[1,3]thiazolo[5,4-d]pyrimidin-2-amine

C11H6ClFN4OS — CID 139330298

IUPAC5-(2-chloro-4-fluorophenoxy)-[1,3]thiazolo[5,4-d]pyrimidin-2-amine
SMILESNc1nc2cnc(Oc3ccc(F)cc3Cl)nc2s1
InChIInChI=1S/C11H6ClFN4OS/c12-6-3-5(13)1-2-8(6)18-11-15-4-7-9(17-11)19-10(14)16-7/h1-4H,(H2,14,16)
InChIKeySUQXGILURXCZIA-UHFFFAOYSA-N
MW296.71 g/mol
LogP3.25
Rot. Bonds2

About 5-(2-chloro-4-fluorophenoxy)-[1,3]thiazolo[5,4-d]pyrimidin-2-amine

5-(2-chloro-4-fluorophenoxy)-[1,3]thiazolo[5,4-d]pyrimidin-2-amine (PubChem CID 139330298) has the molecular formula C11H6ClFN4OS and a molecular weight of 296.71 g/mol. Its IUPAC name is 5-(2-chloro-4-fluorophenoxy)-[1,3]thiazolo[5,4-d]pyrimidin-2-amine.

Molecular Properties

Compound Name5-(2-chloro-4-fluorophenoxy)-[1,3]thiazolo[5,4-d]pyrimidin-2-amine
PubChem CID139330298
Molecular FormulaC11H6ClFN4OS
Molecular Weight296.71 g/mol
Exact Mass295.99
IUPAC Name5-(2-chloro-4-fluorophenoxy)-[1,3]thiazolo[5,4-d]pyrimidin-2-amine
SMILESNc1nc2cnc(Oc3ccc(F)cc3Cl)nc2s1
InChIInChI=1S/C11H6ClFN4OS/c12-6-3-5(13)1-2-8(6)18-11-15-4-7-9(17-11)19-10(14)16-7/h1-4H,(H2,14,16)
InChIKeySUQXGILURXCZIA-UHFFFAOYSA-N
XLogP3.25
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.71
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(2-chloro-4-fluorophenoxy)-6-methoxy-1,3,5-triazin-2-amine
CID 80867191
[5-chloro-4-(2-chloro-4-fluorophenoxy)pyrimidin-2-yl]hydrazine
CID 80918493
5-bromo-2-(2-chloro-4-fluorophenoxy)pyridin-3-amine
CID 61228304
5-chloro-2-(2-chloro-4-fluorophenoxy)pyridine
CID 66234554
4-(2-chloro-4-fluorophenoxy)-6-ethylthieno[2,3-d]pyrimidin-2-amine
CID 103331676
4-(2-chloro-4-fluorophenoxy)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 80864921
4-(2-chloro-4-fluorophenoxy)-3,5-difluoroaniline
CID 54902948
6-(2-chloro-4-fluorophenoxy)quinolin-5-amine
CID 60970898
[5-(2-chloro-4-fluorophenoxy)-2-propan-2-ylpyrimidin-4-yl]methanamine
CID 62295801
4-(2-chloro-4-fluorophenoxy)quinazolin-6-amine
CID 64587942
5-chloro-2-(2-chloro-4-fluorophenoxy)-4-fluoroaniline
CID 66077320
3-(2-chloro-4-fluorophenoxy)-5-methylaniline
CID 112648439

Frequently Asked Questions

What is the IUPAC name of 5-(2-chloro-4-fluorophenoxy)-[1,3]thiazolo[5,4-d]pyrimidin-2-amine?
The IUPAC name of 5-(2-chloro-4-fluorophenoxy)-[1,3]thiazolo[5,4-d]pyrimidin-2-amine (CID 139330298) is 5-(2-chloro-4-fluorophenoxy)-[1,3]thiazolo[5,4-d]pyrimidin-2-amine.
What is the SMILES notation for 5-(2-chloro-4-fluorophenoxy)-[1,3]thiazolo[5,4-d]pyrimidin-2-amine?
The canonical SMILES for 5-(2-chloro-4-fluorophenoxy)-[1,3]thiazolo[5,4-d]pyrimidin-2-amine is Nc1nc2cnc(Oc3ccc(F)cc3Cl)nc2s1.
What is the InChIKey of 5-(2-chloro-4-fluorophenoxy)-[1,3]thiazolo[5,4-d]pyrimidin-2-amine?
The InChIKey is SUQXGILURXCZIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6ClFN4OS/c12-6-3-5(13)1-2-8(6)18-11-15-4-7-9(17-11)19-10(14)16-7/h1-4H,(H2,14,16).
What are the key properties of 5-(2-chloro-4-fluorophenoxy)-[1,3]thiazolo[5,4-d]pyrimidin-2-amine?
5-(2-chloro-4-fluorophenoxy)-[1,3]thiazolo[5,4-d]pyrimidin-2-amine has a molecular weight of 296.71 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloro-4-fluorophenoxy)-[1,3]thiazolo[5,4-d]pyrimidin-2-amine is sourced from PubChem (CID 139330298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).