N-[2-[4-[6-(trifluoromethyl)pyrimidin-4-yl]oxyphenyl]ethyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine

C18H13F3N6OS — CID 58338023

IUPACN-[2-[4-[6-(trifluoromethyl)pyrimidin-4-yl]oxyphenyl]ethyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine
SMILESFC(F)(F)c1cc(Oc2ccc(CCNc3ncnc4scnc34)cc2)ncn1
InChIInChI=1S/C18H13F3N6OS/c19-18(20,21)13-7-14(24-8-23-13)28-12-3-1-11(2-4-12)5-6-22-16-15-17(26-9-25-16)29-10-27-15/h1-4,7-10H,5-6H2,(H,22,25,26)
InChIKeyOGQQRXZWQDUXCA-UHFFFAOYSA-N
MW418.40 g/mol
LogP4.34
Rot. Bonds6

About N-[2-[4-[6-(trifluoromethyl)pyrimidin-4-yl]oxyphenyl]ethyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine

N-[2-[4-[6-(trifluoromethyl)pyrimidin-4-yl]oxyphenyl]ethyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine (PubChem CID 58338023) has the molecular formula C18H13F3N6OS and a molecular weight of 418.40 g/mol. Its IUPAC name is N-[2-[4-[6-(trifluoromethyl)pyrimidin-4-yl]oxyphenyl]ethyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine.

Molecular Properties

Compound NameN-[2-[4-[6-(trifluoromethyl)pyrimidin-4-yl]oxyphenyl]ethyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine
PubChem CID58338023
Molecular FormulaC18H13F3N6OS
Molecular Weight418.40 g/mol
Exact Mass418.08
IUPAC NameN-[2-[4-[6-(trifluoromethyl)pyrimidin-4-yl]oxyphenyl]ethyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine
SMILESFC(F)(F)c1cc(Oc2ccc(CCNc3ncnc4scnc34)cc2)ncn1
InChIInChI=1S/C18H13F3N6OS/c19-18(20,21)13-7-14(24-8-23-13)28-12-3-1-11(2-4-12)5-6-22-16-15-17(26-9-25-16)29-10-27-15/h1-4,7-10H,5-6H2,(H,22,25,26)
InChIKeyOGQQRXZWQDUXCA-UHFFFAOYSA-N
XLogP4.34
TPSA85.71 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.40
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[2-[4-[6-(trifluoromethyl)pyrimidin-4-yl]oxyphenyl]ethyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine with MolForge

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Related Compounds

Trans-4-({4-[difluoro(4-Fluorophenyl)methyl]-6-[(5-Methoxy[1,3]thiazolo[5,4-B]pyridin-2-Yl)amino]pyrimidin-2-Yl}amino)cyclohexanol
CID 72706106
(3S)-4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)-N-(4-methoxy-2-methylphenyl)-3-methylpiperazine-1-carboxamide
CID 71525653
4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)-N-(4-methoxy-2-methylphenyl)piperazine-1-carboxamide
CID 71572645
(3R)-4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)-N-(4-methoxy-2-methylphenyl)-3-methylpiperazine-1-carboxamide
CID 117653382
4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)-N-[4-(trifluoromethoxy)phenyl]piperazine-1-carboxamide
CID 122444097
N-(4-(6-(2-(2-(dimethylamino)ethylamino)-6-(trifluoromethyl)pyridin-3-yl)pyrimidin-4-yloxy)benzo[d]thiazol-2-yl)acetamide
CID 44580373
4-[1-amino-2-(4-fluorophenyl)ethyl]-N-(6-phenoxypyrimidin-4-yl)-1,3-thiazol-2-amine
CID 46948292
4-(1-amino-2-phenylethyl)-N-(6-phenoxypyrimidin-4-yl)-1,3-thiazol-2-amine
CID 49786402
4-[1-amino-2-(4-aminophenyl)ethyl]-N-(6-phenoxypyrimidin-4-yl)-1,3-thiazol-2-amine
CID 49789502
4-[amino(phenyl)methyl]-N-(6-phenoxypyrimidin-4-yl)-1,3-thiazol-2-amine
CID 49790983
4-[amino-(4-methoxyphenyl)methyl]-N-(6-phenoxypyrimidin-4-yl)-1,3-thiazol-2-amine
CID 49792837
N-(4-methoxyphenyl)-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-6-amine
CID 71460338

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[6-(trifluoromethyl)pyrimidin-4-yl]oxyphenyl]ethyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine?
The IUPAC name of N-[2-[4-[6-(trifluoromethyl)pyrimidin-4-yl]oxyphenyl]ethyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine (CID 58338023) is N-[2-[4-[6-(trifluoromethyl)pyrimidin-4-yl]oxyphenyl]ethyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine.
What is the SMILES notation for N-[2-[4-[6-(trifluoromethyl)pyrimidin-4-yl]oxyphenyl]ethyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine?
The canonical SMILES for N-[2-[4-[6-(trifluoromethyl)pyrimidin-4-yl]oxyphenyl]ethyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine is FC(F)(F)c1cc(Oc2ccc(CCNc3ncnc4scnc34)cc2)ncn1.
What is the InChIKey of N-[2-[4-[6-(trifluoromethyl)pyrimidin-4-yl]oxyphenyl]ethyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine?
The InChIKey is OGQQRXZWQDUXCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3N6OS/c19-18(20,21)13-7-14(24-8-23-13)28-12-3-1-11(2-4-12)5-6-22-16-15-17(26-9-25-16)29-10-27-15/h1-4,7-10H,5-6H2,(H,22,25,26).
What are the key properties of N-[2-[4-[6-(trifluoromethyl)pyrimidin-4-yl]oxyphenyl]ethyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine?
N-[2-[4-[6-(trifluoromethyl)pyrimidin-4-yl]oxyphenyl]ethyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine has a molecular weight of 418.40 g/mol, XLogP of 4.34, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[6-(trifluoromethyl)pyrimidin-4-yl]oxyphenyl]ethyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine is sourced from PubChem (CID 58338023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).