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

C20H16F3N5OS — CID 58338032

IUPACN-[2-[3-methyl-4-[[4-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]ethyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine
SMILESCc1cc(CCNc2ncnc3scnc23)ccc1Oc1cnccc1C(F)(F)F
InChIInChI=1S/C20H16F3N5OS/c1-12-8-13(4-7-25-18-17-19(27-10-26-18)30-11-28-17)2-3-15(12)29-16-9-24-6-5-14(16)20(21,22)23/h2-3,5-6,8-11H,4,7H2,1H3,(H,25,26,27)
InChIKeyGHQGFGUPBNLZLJ-UHFFFAOYSA-N
MW431.44 g/mol
LogP5.26
Rot. Bonds6

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

N-[2-[3-methyl-4-[[4-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]ethyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine (PubChem CID 58338032) has the molecular formula C20H16F3N5OS and a molecular weight of 431.44 g/mol. Its IUPAC name is N-[2-[3-methyl-4-[[4-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]ethyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine.

Molecular Properties

Compound NameN-[2-[3-methyl-4-[[4-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]ethyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine
PubChem CID58338032
Molecular FormulaC20H16F3N5OS
Molecular Weight431.44 g/mol
Exact Mass431.10
IUPAC NameN-[2-[3-methyl-4-[[4-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]ethyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine
SMILESCc1cc(CCNc2ncnc3scnc23)ccc1Oc1cnccc1C(F)(F)F
InChIInChI=1S/C20H16F3N5OS/c1-12-8-13(4-7-25-18-17-19(27-10-26-18)30-11-28-17)2-3-15(12)29-16-9-24-6-5-14(16)20(21,22)23/h2-3,5-6,8-11H,4,7H2,1H3,(H,25,26,27)
InChIKeyGHQGFGUPBNLZLJ-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

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Related Compounds

N-(4-(2-(pyridin-2-ylmethylamino)-6-(4-(trifluoromethyl)phenyl)pyrimidin-4-yloxy)benzo[d]thiazol-2-yl)acetamide
CID 11642318
N-(4-(2-(1-(pyridin-2-yl)ethylamino)-6-(4-(trifluoromethyl)phenyl)pyrimidin-4-yloxy)benzo[d]thiazol-2-yl)acetamide
CID 16726087
6-(2-methoxyphenyl)-N-[(1R)-1-pyridin-2-ylethyl]thieno[2,3-d]pyrimidin-4-amine
CID 118734111
6-(2-methoxyphenyl)-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 118734190
5-N-[(3-methoxyphenyl)methyl]-2-pyrazin-2-yl-[1,3]thiazolo[5,4-d]pyrimidine-5,7-diamine
CID 145960746
5-N-[(2-methoxyphenyl)methyl]-2-pyrazin-2-yl-[1,3]thiazolo[5,4-d]pyrimidine-5,7-diamine
CID 145961748
4-[5-(4-Cyano-3-fluoro-anilino)thiazolo[5,4-d]pyrimidin-7-yl]oxy-3,5-dimethyl-benzonitrile
CID 155545308
1-[2-[4-[2-(Ethylamino)-1,3-thiazol-5-yl]phenoxy]pyrimidin-5-yl]-3-[2-phenoxy-5-(trifluoromethyl)pyridin-3-yl]urea
CID 89880990
N-[4-[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]pyrimidin-2-yl]-1,3-benzothiazol-6-amine
CID 44449215
(5-Methylpyrazin-2-yl)methyl-[2-(o-anisylamino)thieno[3,2-d]pyrimidin-4-yl]amine
CID 49791084
N-[[4-(difluoromethoxy)phenyl]methyl]-11,13-dimethyl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-6-amine
CID 166634875
(2S)-1-N-[7-(5-fluoro-2-propan-2-yloxyphenyl)-6-methyl-2-pyridin-4-ylthieno[3,2-d]pyrimidin-4-yl]-3-phenylpropane-1,2-diamine
CID 89596445

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-methyl-4-[[4-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]ethyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine?
The IUPAC name of N-[2-[3-methyl-4-[[4-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]ethyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine (CID 58338032) is N-[2-[3-methyl-4-[[4-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]ethyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine.
What is the SMILES notation for N-[2-[3-methyl-4-[[4-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]ethyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine?
The canonical SMILES for N-[2-[3-methyl-4-[[4-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]ethyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine is Cc1cc(CCNc2ncnc3scnc23)ccc1Oc1cnccc1C(F)(F)F.
What is the InChIKey of N-[2-[3-methyl-4-[[4-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]ethyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine?
The InChIKey is GHQGFGUPBNLZLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N5OS/c1-12-8-13(4-7-25-18-17-19(27-10-26-18)30-11-28-17)2-3-15(12)29-16-9-24-6-5-14(16)20(21,22)23/h2-3,5-6,8-11H,4,7H2,1H3,(H,25,26,27).
What are the key properties of N-[2-[3-methyl-4-[[4-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]ethyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine?
N-[2-[3-methyl-4-[[4-(trifluoromethyl)-3-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-[[4-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]ethyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine is sourced from PubChem (CID 58338032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).