2-(1,3-benzothiazol-2-yl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(4,5-dimethyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-[4-(1-fluoroethyl)-1,3-thiazol-2-yl]-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(6-methyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-pyridin-2-yl-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone

C85H67FN20O10S2 — CID 159860822

IUPAC2-(1,3-benzothiazol-2-yl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(4,5-dimethyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-[4-(1-fluoroethyl)-1,3-thiazol-2-yl]-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(6-methyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-pyridin-2-yl-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone
SMILESCC(F)c1csc(CC(=O)c2cc(Oc3cncnc3)ccn2)n1.Cc1cccc(CC(=O)c2cc(Oc3cncnc3)ccn2)n1.Cc1cnc(CC(=O)c2cc(Oc3cncnc3)ccn2)cc1C.O=C(Cc1ccccn1)c1cc(Oc2cncnc2)ccn1.O=C(Cc1nc2ccccc2s1)c1cc(Oc2cncnc2)ccn1
InChIInChI=1S/C18H12N4O2S.C18H16N4O2.C17H14N4O2.C16H13FN4O2S.C16H12N4O2/c23-16(8-18-22-14-3-1-2-4-17(14)25-18)15-7-12(5-6-21-15)24-13-9-19-11-20-10-13;1-12-5-14(22-8-13(12)2)6-18(23)17-7-15(3-4-21-17)24-16-9-19-11-20-10-16;1-12-3-2-4-13(21-12)7-17(22)16-8-14(5-6-20-16)23-15-9-18-11-19-10-15;1-10(17)14-8-24-16(21-14)5-15(22)13-4-11(2-3-20-13)23-12-6-18-9-19-7-12;21-16(7-12-3-1-2-5-19-12)15-8-13(4-6-20-15)22-14-9-17-11-18-10-14/h1-7,9-11H,8H2;3-5,7-11H,6H2,1-2H3;2-6,8-11H,7H2,1H3;2-4,6-10H,5H2,1H3;1-6,8-11H,7H2
InChIKeyNRCSVKJMVGUMNS-UHFFFAOYSA-N
MW1611.73 g/mol
LogP15.65
Rot. Bonds26

About 2-(1,3-benzothiazol-2-yl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(4,5-dimethyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-[4-(1-fluoroethyl)-1,3-thiazol-2-yl]-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(6-methyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-pyridin-2-yl-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone

2-(1,3-benzothiazol-2-yl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(4,5-dimethyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-[4-(1-fluoroethyl)-1,3-thiazol-2-yl]-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(6-methyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-pyridin-2-yl-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone (PubChem CID 159860822) has the molecular formula C85H67FN20O10S2 and a molecular weight of 1611.73 g/mol. Its IUPAC name is 2-(1,3-benzothiazol-2-yl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(4,5-dimethyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-[4-(1-fluoroethyl)-1,3-thiazol-2-yl]-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(6-methyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-pyridin-2-yl-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone.

Molecular Properties

Compound Name2-(1,3-benzothiazol-2-yl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(4,5-dimethyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-[4-(1-fluoroethyl)-1,3-thiazol-2-yl]-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(6-methyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-pyridin-2-yl-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone
PubChem CID159860822
Molecular FormulaC85H67FN20O10S2
Molecular Weight1611.73 g/mol
Exact Mass1610.48
IUPAC Name2-(1,3-benzothiazol-2-yl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(4,5-dimethyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-[4-(1-fluoroethyl)-1,3-thiazol-2-yl]-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(6-methyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-pyridin-2-yl-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone
SMILESCC(F)c1csc(CC(=O)c2cc(Oc3cncnc3)ccn2)n1.Cc1cccc(CC(=O)c2cc(Oc3cncnc3)ccn2)n1.Cc1cnc(CC(=O)c2cc(Oc3cncnc3)ccn2)cc1C.O=C(Cc1ccccn1)c1cc(Oc2cncnc2)ccn1.O=C(Cc1nc2ccccc2s1)c1cc(Oc2cncnc2)ccn1
InChIInChI=1S/C18H12N4O2S.C18H16N4O2.C17H14N4O2.C16H13FN4O2S.C16H12N4O2/c23-16(8-18-22-14-3-1-2-4-17(14)25-18)15-7-12(5-6-21-15)24-13-9-19-11-20-10-13;1-12-5-14(22-8-13(12)2)6-18(23)17-7-15(3-4-21-17)24-16-9-19-11-20-10-16;1-12-3-2-4-13(21-12)7-17(22)16-8-14(5-6-20-16)23-15-9-18-11-19-10-15;1-10(17)14-8-24-16(21-14)5-15(22)13-4-11(2-3-20-13)23-12-6-18-9-19-7-12;21-16(7-12-3-1-2-5-19-12)15-8-13(4-6-20-15)22-14-9-17-11-18-10-14/h1-7,9-11H,8H2;3-5,7-11H,6H2,1-2H3;2-6,8-11H,7H2,1H3;2-4,6-10H,5H2,1H3;1-6,8-11H,7H2
InChIKeyNRCSVKJMVGUMNS-UHFFFAOYSA-N
XLogP15.65
TPSA389.30 Ų
H-Bond Donors
H-Bond Acceptors32
Rotatable Bonds26
Heavy Atoms118
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001611.73
LogP ≤ 515.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1032

Analyze 2-(1,3-benzothiazol-2-yl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(4,5-dimethyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-[4-(1-fluoroethyl)-1,3-thiazol-2-yl]-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(6-methyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-pyridin-2-yl-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzothiazol-2-yl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(4,5-dimethyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-[4-(1-fluoroethyl)-1,3-thiazol-2-yl]-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(6-methyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-pyridin-2-yl-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone?
The IUPAC name of 2-(1,3-benzothiazol-2-yl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(4,5-dimethyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-[4-(1-fluoroethyl)-1,3-thiazol-2-yl]-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(6-methyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-pyridin-2-yl-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone (CID 159860822) is 2-(1,3-benzothiazol-2-yl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(4,5-dimethyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-[4-(1-fluoroethyl)-1,3-thiazol-2-yl]-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(6-methyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-pyridin-2-yl-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone.
What is the SMILES notation for 2-(1,3-benzothiazol-2-yl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(4,5-dimethyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-[4-(1-fluoroethyl)-1,3-thiazol-2-yl]-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(6-methyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-pyridin-2-yl-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone?
The canonical SMILES for 2-(1,3-benzothiazol-2-yl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(4,5-dimethyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-[4-(1-fluoroethyl)-1,3-thiazol-2-yl]-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(6-methyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-pyridin-2-yl-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone is CC(F)c1csc(CC(=O)c2cc(Oc3cncnc3)ccn2)n1.Cc1cccc(CC(=O)c2cc(Oc3cncnc3)ccn2)n1.Cc1cnc(CC(=O)c2cc(Oc3cncnc3)ccn2)cc1C.O=C(Cc1ccccn1)c1cc(Oc2cncnc2)ccn1.O=C(Cc1nc2ccccc2s1)c1cc(Oc2cncnc2)ccn1.
What is the InChIKey of 2-(1,3-benzothiazol-2-yl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(4,5-dimethyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-[4-(1-fluoroethyl)-1,3-thiazol-2-yl]-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(6-methyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-pyridin-2-yl-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone?
The InChIKey is NRCSVKJMVGUMNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N4O2S.C18H16N4O2.C17H14N4O2.C16H13FN4O2S.C16H12N4O2/c23-16(8-18-22-14-3-1-2-4-17(14)25-18)15-7-12(5-6-21-15)24-13-9-19-11-20-10-13;1-12-5-14(22-8-13(12)2)6-18(23)17-7-15(3-4-21-17)24-16-9-19-11-20-10-16;1-12-3-2-4-13(21-12)7-17(22)16-8-14(5-6-20-16)23-15-9-18-11-19-10-15;1-10(17)14-8-24-16(21-14)5-15(22)13-4-11(2-3-20-13)23-12-6-18-9-19-7-12;21-16(7-12-3-1-2-5-19-12)15-8-13(4-6-20-15)22-14-9-17-11-18-10-14/h1-7,9-11H,8H2;3-5,7-11H,6H2,1-2H3;2-6,8-11H,7H2,1H3;2-4,6-10H,5H2,1H3;1-6,8-11H,7H2.
What are the key properties of 2-(1,3-benzothiazol-2-yl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(4,5-dimethyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-[4-(1-fluoroethyl)-1,3-thiazol-2-yl]-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(6-methyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-pyridin-2-yl-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone?
2-(1,3-benzothiazol-2-yl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(4,5-dimethyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-[4-(1-fluoroethyl)-1,3-thiazol-2-yl]-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(6-methyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-pyridin-2-yl-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone has a molecular weight of 1611.73 g/mol, XLogP of 15.65, 26 rotatable bonds, 0 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzothiazol-2-yl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(4,5-dimethyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-[4-(1-fluoroethyl)-1,3-thiazol-2-yl]-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(6-methyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-pyridin-2-yl-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone is sourced from PubChem (CID 159860822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).