N-[2-[4-[[6-methyl-4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine

C20H16F3N5OS — CID 58338071

IUPACN-[2-[4-[[6-methyl-4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine
SMILESCc1cc(C(F)(F)F)cc(Oc2ccc(CCNc3ncnc4scnc34)cc2)n1
InChIInChI=1S/C20H16F3N5OS/c1-12-8-14(20(21,22)23)9-16(28-12)29-15-4-2-13(3-5-15)6-7-24-18-17-19(26-10-25-18)30-11-27-17/h2-5,8-11H,6-7H2,1H3,(H,24,25,26)
InChIKeyYQBVNYRBZWDYQM-UHFFFAOYSA-N
MW431.44 g/mol
LogP5.26
Rot. Bonds6

About N-[2-[4-[[6-methyl-4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine

N-[2-[4-[[6-methyl-4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine (PubChem CID 58338071) has the molecular formula C20H16F3N5OS and a molecular weight of 431.44 g/mol. Its IUPAC name is N-[2-[4-[[6-methyl-4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine.

Molecular Properties

Compound NameN-[2-[4-[[6-methyl-4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine
PubChem CID58338071
Molecular FormulaC20H16F3N5OS
Molecular Weight431.44 g/mol
Exact Mass431.10
IUPAC NameN-[2-[4-[[6-methyl-4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine
SMILESCc1cc(C(F)(F)F)cc(Oc2ccc(CCNc3ncnc4scnc34)cc2)n1
InChIInChI=1S/C20H16F3N5OS/c1-12-8-14(20(21,22)23)9-16(28-12)29-15-4-2-13(3-5-15)6-7-24-18-17-19(26-10-25-18)30-11-27-17/h2-5,8-11H,6-7H2,1H3,(H,24,25,26)
InChIKeyYQBVNYRBZWDYQM-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

2-[4-[2-([1,3]thiazolo[5,4-d]pyrimidin-7-ylamino)ethyl]phenoxy]pyridine-4-carbonitrile
CID 58338043
N-[2-(4-methoxy-3-methylphenyl)ethyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine
CID 58338058
N-[2-[3-methoxy-4-[1-oxido-4-(trifluoromethyl)pyridin-1-ium-2-yl]oxyphenyl]ethyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine
CID 58338034
N-[2-[4-[[4-(1,1-difluoroethyl)-6-methoxy-2-pyridinyl]oxy]phenyl]ethyl]pteridin-4-amine
CID 51000642
5,6-dimethyl-N-[2-[6-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]ethyl]pyrimidin-4-amine
CID 155471346
5,6-dichloro-N-[2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethyl]pyrimidin-4-amine
CID 90131355
5,6-dichloro-N-[2-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethyl]pyrimidin-4-amine
CID 90131350
6-chloro-N-[2-[4-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethyl]pteridin-4-amine
CID 58174092
N-[2-[4-[[4-(1,1-difluoroethyl)-6-methoxy-2-pyridinyl]oxy]phenyl]ethyl]pteridin-4-amine;N-[2-[4-[4-(1,1-difluoroethyl)-1-oxidopyridin-1-ium-2-yl]oxyphenyl]ethyl]pteridin-4-amine
CID 159535284
5-chloro-6-(1-chloroethyl)-N-[2-(4-methoxyphenyl)ethyl]pyrimidin-4-amine
CID 18982854
N-[2-[4-[(3,5,6-trifluoro-2-pyridinyl)oxy]phenyl]ethyl]pteridin-4-amine
CID 58174056
5-chloro-6-(1-fluoroethyl)-N-[2-(4-methoxyphenyl)ethyl]pyrimidin-4-amine
CID 18982877

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[[6-methyl-4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine?
The IUPAC name of N-[2-[4-[[6-methyl-4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine (CID 58338071) is N-[2-[4-[[6-methyl-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-[[6-methyl-4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine?
The canonical SMILES for N-[2-[4-[[6-methyl-4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine is Cc1cc(C(F)(F)F)cc(Oc2ccc(CCNc3ncnc4scnc34)cc2)n1.
What is the InChIKey of N-[2-[4-[[6-methyl-4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine?
The InChIKey is YQBVNYRBZWDYQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N5OS/c1-12-8-14(20(21,22)23)9-16(28-12)29-15-4-2-13(3-5-15)6-7-24-18-17-19(26-10-25-18)30-11-27-17/h2-5,8-11H,6-7H2,1H3,(H,24,25,26).
What are the key properties of N-[2-[4-[[6-methyl-4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine?
N-[2-[4-[[6-methyl-4-(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-[4-[[6-methyl-4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine is sourced from PubChem (CID 58338071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).