N-[2-[4-[[4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine

C19H14F3N5OS — CID 53247696

IUPACN-[2-[4-[[4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine
SMILESFC(F)(F)c1ccnc(Oc2ccc(CCNc3ncnc4scnc34)cc2)c1
InChIInChI=1S/C19H14F3N5OS/c20-19(21,22)13-6-8-23-15(9-13)28-14-3-1-12(2-4-14)5-7-24-17-16-18(26-10-25-17)29-11-27-16/h1-4,6,8-11H,5,7H2,(H,24,25,26)
InChIKeyASFGDVPZCRDWKG-UHFFFAOYSA-N
MW417.42 g/mol
LogP4.95
Rot. Bonds6

About N-[2-[4-[[4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine

N-[2-[4-[[4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine (PubChem CID 53247696) has the molecular formula C19H14F3N5OS and a molecular weight of 417.42 g/mol. Its IUPAC name is N-[2-[4-[[4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine.

Molecular Properties

Compound NameN-[2-[4-[[4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine
PubChem CID53247696
Molecular FormulaC19H14F3N5OS
Molecular Weight417.42 g/mol
Exact Mass417.09
IUPAC NameN-[2-[4-[[4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine
SMILESFC(F)(F)c1ccnc(Oc2ccc(CCNc3ncnc4scnc34)cc2)c1
InChIInChI=1S/C19H14F3N5OS/c20-19(21,22)13-6-8-23-15(9-13)28-14-3-1-12(2-4-14)5-7-24-17-16-18(26-10-25-17)29-11-27-16/h1-4,6,8-11H,5,7H2,(H,24,25,26)
InChIKeyASFGDVPZCRDWKG-UHFFFAOYSA-N
XLogP4.95
TPSA72.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.42
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[[4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine?
The IUPAC name of N-[2-[4-[[4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine (CID 53247696) is N-[2-[4-[[4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine.
What is the SMILES notation for N-[2-[4-[[4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine?
The canonical SMILES for N-[2-[4-[[4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine is FC(F)(F)c1ccnc(Oc2ccc(CCNc3ncnc4scnc34)cc2)c1.
What is the InChIKey of N-[2-[4-[[4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine?
The InChIKey is ASFGDVPZCRDWKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3N5OS/c20-19(21,22)13-6-8-23-15(9-13)28-14-3-1-12(2-4-14)5-7-24-17-16-18(26-10-25-17)29-11-27-16/h1-4,6,8-11H,5,7H2,(H,24,25,26).
What are the key properties of N-[2-[4-[[4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine?
N-[2-[4-[[4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine has a molecular weight of 417.42 g/mol, XLogP of 4.95, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[[4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine is sourced from PubChem (CID 53247696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).