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

C20H16F3N5OS — CID 58338047

IUPACN-[2-[3-methyl-4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine
SMILESCc1cc(CCNc2ncnc3scnc23)ccc1Oc1ncccc1C(F)(F)F
InChIInChI=1S/C20H16F3N5OS/c1-12-9-13(6-8-24-17-16-19(27-10-26-17)30-11-28-16)4-5-15(12)29-18-14(20(21,22)23)3-2-7-25-18/h2-5,7,9-11H,6,8H2,1H3,(H,24,26,27)
InChIKeyURZVCKCSZAPXII-UHFFFAOYSA-N
MW431.44 g/mol
LogP5.26
Rot. Bonds6

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

N-[2-[3-methyl-4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine (PubChem CID 58338047) has the molecular formula C20H16F3N5OS and a molecular weight of 431.44 g/mol. Its IUPAC name is N-[2-[3-methyl-4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine.

Molecular Properties

Compound NameN-[2-[3-methyl-4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine
PubChem CID58338047
Molecular FormulaC20H16F3N5OS
Molecular Weight431.44 g/mol
Exact Mass431.10
IUPAC NameN-[2-[3-methyl-4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine
SMILESCc1cc(CCNc2ncnc3scnc23)ccc1Oc1ncccc1C(F)(F)F
InChIInChI=1S/C20H16F3N5OS/c1-12-9-13(6-8-24-17-16-19(27-10-26-17)30-11-28-16)4-5-15(12)29-18-14(20(21,22)23)3-2-7-25-18/h2-5,7,9-11H,6,8H2,1H3,(H,24,26,27)
InChIKeyURZVCKCSZAPXII-UHFFFAOYSA-N
XLogP5.26
TPSA72.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.44
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-methyl-4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine?
The IUPAC name of N-[2-[3-methyl-4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine (CID 58338047) is N-[2-[3-methyl-4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine.
What is the SMILES notation for N-[2-[3-methyl-4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine?
The canonical SMILES for N-[2-[3-methyl-4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine is Cc1cc(CCNc2ncnc3scnc23)ccc1Oc1ncccc1C(F)(F)F.
What is the InChIKey of N-[2-[3-methyl-4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine?
The InChIKey is URZVCKCSZAPXII-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N5OS/c1-12-9-13(6-8-24-17-16-19(27-10-26-17)30-11-28-16)4-5-15(12)29-18-14(20(21,22)23)3-2-7-25-18/h2-5,7,9-11H,6,8H2,1H3,(H,24,26,27).
What are the key properties of N-[2-[3-methyl-4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine?
N-[2-[3-methyl-4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine has a molecular weight of 431.44 g/mol, XLogP of 5.26, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-methyl-4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine is sourced from PubChem (CID 58338047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).