6-(5-methyl-1,3-thiazol-2-yl)-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrido[3,2-d]pyrimidin-4-amine

C15H10F3N7OS — CID 175723476

IUPAC6-(5-methyl-1,3-thiazol-2-yl)-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrido[3,2-d]pyrimidin-4-amine
SMILESCc1cnc(-c2ccc3ncnc(NCc4nc(C(F)(F)F)no4)c3n2)s1
InChIInChI=1S/C15H10F3N7OS/c1-7-4-20-13(27-7)9-3-2-8-11(23-9)12(22-6-21-8)19-5-10-24-14(25-26-10)15(16,17)18/h2-4,6H,5H2,1H3,(H,19,21,22)
InChIKeyDXVGLGFMUNHVFZ-UHFFFAOYSA-N
MW393.35 g/mol
LogP3.47
Rot. Bonds4

About 6-(5-methyl-1,3-thiazol-2-yl)-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrido[3,2-d]pyrimidin-4-amine

6-(5-methyl-1,3-thiazol-2-yl)-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrido[3,2-d]pyrimidin-4-amine (PubChem CID 175723476) has the molecular formula C15H10F3N7OS and a molecular weight of 393.35 g/mol. Its IUPAC name is 6-(5-methyl-1,3-thiazol-2-yl)-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrido[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-(5-methyl-1,3-thiazol-2-yl)-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrido[3,2-d]pyrimidin-4-amine
PubChem CID175723476
Molecular FormulaC15H10F3N7OS
Molecular Weight393.35 g/mol
Exact Mass393.06
IUPAC Name6-(5-methyl-1,3-thiazol-2-yl)-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrido[3,2-d]pyrimidin-4-amine
SMILESCc1cnc(-c2ccc3ncnc(NCc4nc(C(F)(F)F)no4)c3n2)s1
InChIInChI=1S/C15H10F3N7OS/c1-7-4-20-13(27-7)9-3-2-8-11(23-9)12(22-6-21-8)19-5-10-24-14(25-26-10)15(16,17)18/h2-4,6H,5H2,1H3,(H,19,21,22)
InChIKeyDXVGLGFMUNHVFZ-UHFFFAOYSA-N
XLogP3.47
TPSA102.51 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.35
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-(5-methyl-1,3-thiazol-2-yl)-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrido[3,2-d]pyrimidin-4-amine?
The IUPAC name of 6-(5-methyl-1,3-thiazol-2-yl)-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrido[3,2-d]pyrimidin-4-amine (CID 175723476) is 6-(5-methyl-1,3-thiazol-2-yl)-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrido[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for 6-(5-methyl-1,3-thiazol-2-yl)-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrido[3,2-d]pyrimidin-4-amine?
The canonical SMILES for 6-(5-methyl-1,3-thiazol-2-yl)-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrido[3,2-d]pyrimidin-4-amine is Cc1cnc(-c2ccc3ncnc(NCc4nc(C(F)(F)F)no4)c3n2)s1.
What is the InChIKey of 6-(5-methyl-1,3-thiazol-2-yl)-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrido[3,2-d]pyrimidin-4-amine?
The InChIKey is DXVGLGFMUNHVFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3N7OS/c1-7-4-20-13(27-7)9-3-2-8-11(23-9)12(22-6-21-8)19-5-10-24-14(25-26-10)15(16,17)18/h2-4,6H,5H2,1H3,(H,19,21,22).
What are the key properties of 6-(5-methyl-1,3-thiazol-2-yl)-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrido[3,2-d]pyrimidin-4-amine?
6-(5-methyl-1,3-thiazol-2-yl)-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrido[3,2-d]pyrimidin-4-amine has a molecular weight of 393.35 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-methyl-1,3-thiazol-2-yl)-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrido[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 175723476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).