N-(5-fluoro-1H-indazol-3-yl)-5-[2-(trifluoromethyl)phenyl]-[1,2]thiazolo[4,5-d]pyrimidin-7-amine

C19H10F4N6S — CID 20626465

IUPACN-(5-fluoro-1H-indazol-3-yl)-5-[2-(trifluoromethyl)phenyl]-[1,2]thiazolo[4,5-d]pyrimidin-7-amine
SMILESFc1ccc2[nH]nc(Nc3nc(-c4ccccc4C(F)(F)F)nc4cnsc34)c2c1
InChIInChI=1S/C19H10F4N6S/c20-9-5-6-13-11(7-9)17(29-28-13)27-18-15-14(8-24-30-15)25-16(26-18)10-3-1-2-4-12(10)19(21,22)23/h1-8H,(H2,25,26,27,28,29)
InChIKeyODNIVNXIWFTGQI-UHFFFAOYSA-N
MW430.39 g/mol
LogP5.53
Rot. Bonds3

About N-(5-fluoro-1H-indazol-3-yl)-5-[2-(trifluoromethyl)phenyl]-[1,2]thiazolo[4,5-d]pyrimidin-7-amine

N-(5-fluoro-1H-indazol-3-yl)-5-[2-(trifluoromethyl)phenyl]-[1,2]thiazolo[4,5-d]pyrimidin-7-amine (PubChem CID 20626465) has the molecular formula C19H10F4N6S and a molecular weight of 430.39 g/mol. Its IUPAC name is N-(5-fluoro-1H-indazol-3-yl)-5-[2-(trifluoromethyl)phenyl]-[1,2]thiazolo[4,5-d]pyrimidin-7-amine.

Molecular Properties

Compound NameN-(5-fluoro-1H-indazol-3-yl)-5-[2-(trifluoromethyl)phenyl]-[1,2]thiazolo[4,5-d]pyrimidin-7-amine
PubChem CID20626465
Molecular FormulaC19H10F4N6S
Molecular Weight430.39 g/mol
Exact Mass430.06
IUPAC NameN-(5-fluoro-1H-indazol-3-yl)-5-[2-(trifluoromethyl)phenyl]-[1,2]thiazolo[4,5-d]pyrimidin-7-amine
SMILESFc1ccc2[nH]nc(Nc3nc(-c4ccccc4C(F)(F)F)nc4cnsc34)c2c1
InChIInChI=1S/C19H10F4N6S/c20-9-5-6-13-11(7-9)17(29-28-13)27-18-15-14(8-24-30-15)25-16(26-18)10-3-1-2-4-12(10)19(21,22)23/h1-8H,(H2,25,26,27,28,29)
InChIKeyODNIVNXIWFTGQI-UHFFFAOYSA-N
XLogP5.53
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.39
LogP ≤ 55.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-1H-indazol-3-yl)-5-[2-(trifluoromethyl)phenyl]-[1,2]thiazolo[4,5-d]pyrimidin-7-amine?
The IUPAC name of N-(5-fluoro-1H-indazol-3-yl)-5-[2-(trifluoromethyl)phenyl]-[1,2]thiazolo[4,5-d]pyrimidin-7-amine (CID 20626465) is N-(5-fluoro-1H-indazol-3-yl)-5-[2-(trifluoromethyl)phenyl]-[1,2]thiazolo[4,5-d]pyrimidin-7-amine.
What is the SMILES notation for N-(5-fluoro-1H-indazol-3-yl)-5-[2-(trifluoromethyl)phenyl]-[1,2]thiazolo[4,5-d]pyrimidin-7-amine?
The canonical SMILES for N-(5-fluoro-1H-indazol-3-yl)-5-[2-(trifluoromethyl)phenyl]-[1,2]thiazolo[4,5-d]pyrimidin-7-amine is Fc1ccc2[nH]nc(Nc3nc(-c4ccccc4C(F)(F)F)nc4cnsc34)c2c1.
What is the InChIKey of N-(5-fluoro-1H-indazol-3-yl)-5-[2-(trifluoromethyl)phenyl]-[1,2]thiazolo[4,5-d]pyrimidin-7-amine?
The InChIKey is ODNIVNXIWFTGQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H10F4N6S/c20-9-5-6-13-11(7-9)17(29-28-13)27-18-15-14(8-24-30-15)25-16(26-18)10-3-1-2-4-12(10)19(21,22)23/h1-8H,(H2,25,26,27,28,29).
What are the key properties of N-(5-fluoro-1H-indazol-3-yl)-5-[2-(trifluoromethyl)phenyl]-[1,2]thiazolo[4,5-d]pyrimidin-7-amine?
N-(5-fluoro-1H-indazol-3-yl)-5-[2-(trifluoromethyl)phenyl]-[1,2]thiazolo[4,5-d]pyrimidin-7-amine has a molecular weight of 430.39 g/mol, XLogP of 5.53, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-1H-indazol-3-yl)-5-[2-(trifluoromethyl)phenyl]-[1,2]thiazolo[4,5-d]pyrimidin-7-amine is sourced from PubChem (CID 20626465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).