1-[3-Chloro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(1,3-thiazol-2-yl)ethanone;2-(5-chloro-3-pyridinyl)-1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]ethanone;1-[4-fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(5-fluoro-2-pyridinyl)ethanone;1-[4-fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-[5-(trifluoromethyl)-2-pyridinyl]ethanone

C88H70Cl2F8N20O5S2 — CID 157502588

IUPAC1-[3-chloro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(1,3-thiazol-2-yl)ethanone;2-(5-chloro-3-pyridinyl)-1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]ethanone;1-[4-fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(5-fluoro-2-pyridinyl)ethanone;1-[4-fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-[5-(trifluoromethyl)-2-pyridinyl]ethanone
SMILESCC1=CSC(=N1)CC(=O)C2=CC(=C(C=C2)F)N(C)C3=CN=CN=C3.CN(C1=CC(=CC(=C1)C(=O)CC2=NC=C(C=C2)C(F)(F)F)F)C3=CN=CN=C3.CN(C1=CC(=CC(=C1)C(=O)CC2=CC(=CN=C2)Cl)F)C3=CN=CN=C3.CN(C1=CC(=CC(=C1)C(=O)CC2=NC=CS2)Cl)C3=CN=CN=C3.CN(C1=C(C=CC(=C1)C(=O)CC2=NC=C(C=C2)F)F)C3=CN=CN=C3
InChIInChI=1S/C19H14F4N4O.C18H14ClFN4O.C18H14F2N4O.C17H15FN4OS.C16H13ClN4OS/c1-27(17-9-24-11-25-10-17)16-5-12(4-14(20)6-16)18(28)7-15-3-2-13(8-26-15)19(21,22)23;1-24(17-9-22-11-23-10-17)16-5-13(4-15(20)6-16)18(25)3-12-2-14(19)8-21-7-12;1-24(15-9-21-11-22-10-15)17-6-12(2-5-16(17)20)18(25)7-14-4-3-13(19)8-23-14;1-11-9-24-17(21-11)6-16(23)12-3-4-14(18)15(5-12)22(2)13-7-19-10-20-8-13;1-21(14-8-18-10-19-9-14)13-5-11(4-12(17)6-13)15(22)7-16-20-2-3-23-16/h2-6,8-11H,7H2,1H3;2,4-11H,3H2,1H3;2-6,8-11H,7H2,1H3;3-5,7-10H,6H2,1-2H3;2-6,8-10H,7H2,1H3
InChIKeyBYOVMEIEOMSLNK-UHFFFAOYSA-N
MW1774.70 g/mol
LogP
Rot. Bonds25

About 1-[3-Chloro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(1,3-thiazol-2-yl)ethanone;2-(5-chloro-3-pyridinyl)-1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]ethanone;1-[4-fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(5-fluoro-2-pyridinyl)ethanone;1-[4-fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-[5-(trifluoromethyl)-2-pyridinyl]ethanone

1-[3-Chloro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(1,3-thiazol-2-yl)ethanone;2-(5-chloro-3-pyridinyl)-1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]ethanone;1-[4-fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(5-fluoro-2-pyridinyl)ethanone;1-[4-fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-[5-(trifluoromethyl)-2-pyridinyl]ethanone (PubChem CID 157502588) has the molecular formula C88H70Cl2F8N20O5S2 and a molecular weight of 1774.70 g/mol. Its IUPAC name is 1-[3-chloro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(1,3-thiazol-2-yl)ethanone;2-(5-chloro-3-pyridinyl)-1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]ethanone;1-[4-fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(5-fluoro-2-pyridinyl)ethanone;1-[4-fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-[5-(trifluoromethyl)-2-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[3-Chloro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(1,3-thiazol-2-yl)ethanone;2-(5-chloro-3-pyridinyl)-1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]ethanone;1-[4-fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(5-fluoro-2-pyridinyl)ethanone;1-[4-fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-[5-(trifluoromethyl)-2-pyridinyl]ethanone
PubChem CID157502588
Molecular FormulaC88H70Cl2F8N20O5S2
Molecular Weight1774.70 g/mol
Exact Mass1772.45
IUPAC Name1-[3-chloro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(1,3-thiazol-2-yl)ethanone;2-(5-chloro-3-pyridinyl)-1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]ethanone;1-[4-fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(5-fluoro-2-pyridinyl)ethanone;1-[4-fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-[5-(trifluoromethyl)-2-pyridinyl]ethanone
SMILESCC1=CSC(=N1)CC(=O)C2=CC(=C(C=C2)F)N(C)C3=CN=CN=C3.CN(C1=CC(=CC(=C1)C(=O)CC2=NC=C(C=C2)C(F)(F)F)F)C3=CN=CN=C3.CN(C1=CC(=CC(=C1)C(=O)CC2=CC(=CN=C2)Cl)F)C3=CN=CN=C3.CN(C1=CC(=CC(=C1)C(=O)CC2=NC=CS2)Cl)C3=CN=CN=C3.CN(C1=C(C=CC(=C1)C(=O)CC2=NC=C(C=C2)F)F)C3=CN=CN=C3
InChIInChI=1S/C19H14F4N4O.C18H14ClFN4O.C18H14F2N4O.C17H15FN4OS.C16H13ClN4OS/c1-27(17-9-24-11-25-10-17)16-5-12(4-14(20)6-16)18(28)7-15-3-2-13(8-26-15)19(21,22)23;1-24(17-9-22-11-23-10-17)16-5-13(4-15(20)6-16)18(25)3-12-2-14(19)8-21-7-12;1-24(15-9-21-11-22-10-15)17-6-12(2-5-16(17)20)18(25)7-14-4-3-13(19)8-23-14;1-11-9-24-17(21-11)6-16(23)12-3-4-14(18)15(5-12)22(2)13-7-19-10-20-8-13;1-21(14-8-18-10-19-9-14)13-5-11(4-12(17)6-13)15(22)7-16-20-2-3-23-16/h2-6,8-11H,7H2,1H3;2,4-11H,3H2,1H3;2-6,8-11H,7H2,1H3;3-5,7-10H,6H2,1-2H3;2-6,8-10H,7H2,1H3
InChIKeyBYOVMEIEOMSLNK-UHFFFAOYSA-N
XLogP
TPSA351.00 Ų
H-Bond Donors
H-Bond Acceptors35
Rotatable Bonds25
Heavy Atoms125
Complexity2260

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001774.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1035

Analyze 1-[3-Chloro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(1,3-thiazol-2-yl)ethanone;2-(5-chloro-3-pyridinyl)-1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]ethanone;1-[4-fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(5-fluoro-2-pyridinyl)ethanone;1-[4-fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-[5-(trifluoromethyl)-2-pyridinyl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[3-Chloro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(1,3-thiazol-2-yl)ethanone;2-(5-chloro-3-pyridinyl)-1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]ethanone;1-[4-fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(5-fluoro-2-pyridinyl)ethanone;1-[4-fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-[5-(trifluoromethyl)-2-pyridinyl]ethanone?
The IUPAC name of 1-[3-Chloro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(1,3-thiazol-2-yl)ethanone;2-(5-chloro-3-pyridinyl)-1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]ethanone;1-[4-fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(5-fluoro-2-pyridinyl)ethanone;1-[4-fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-[5-(trifluoromethyl)-2-pyridinyl]ethanone (CID 157502588) is 1-[3-chloro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(1,3-thiazol-2-yl)ethanone;2-(5-chloro-3-pyridinyl)-1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]ethanone;1-[4-fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(5-fluoro-2-pyridinyl)ethanone;1-[4-fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-[5-(trifluoromethyl)-2-pyridinyl]ethanone.
What is the SMILES notation for 1-[3-Chloro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(1,3-thiazol-2-yl)ethanone;2-(5-chloro-3-pyridinyl)-1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]ethanone;1-[4-fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(5-fluoro-2-pyridinyl)ethanone;1-[4-fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-[5-(trifluoromethyl)-2-pyridinyl]ethanone?
The canonical SMILES for 1-[3-Chloro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(1,3-thiazol-2-yl)ethanone;2-(5-chloro-3-pyridinyl)-1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]ethanone;1-[4-fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(5-fluoro-2-pyridinyl)ethanone;1-[4-fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-[5-(trifluoromethyl)-2-pyridinyl]ethanone is CC1=CSC(=N1)CC(=O)C2=CC(=C(C=C2)F)N(C)C3=CN=CN=C3.CN(C1=CC(=CC(=C1)C(=O)CC2=NC=C(C=C2)C(F)(F)F)F)C3=CN=CN=C3.CN(C1=CC(=CC(=C1)C(=O)CC2=CC(=CN=C2)Cl)F)C3=CN=CN=C3.CN(C1=CC(=CC(=C1)C(=O)CC2=NC=CS2)Cl)C3=CN=CN=C3.CN(C1=C(C=CC(=C1)C(=O)CC2=NC=C(C=C2)F)F)C3=CN=CN=C3.
What is the InChIKey of 1-[3-Chloro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(1,3-thiazol-2-yl)ethanone;2-(5-chloro-3-pyridinyl)-1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]ethanone;1-[4-fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(5-fluoro-2-pyridinyl)ethanone;1-[4-fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-[5-(trifluoromethyl)-2-pyridinyl]ethanone?
The InChIKey is BYOVMEIEOMSLNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F4N4O.C18H14ClFN4O.C18H14F2N4O.C17H15FN4OS.C16H13ClN4OS/c1-27(17-9-24-11-25-10-17)16-5-12(4-14(20)6-16)18(28)7-15-3-2-13(8-26-15)19(21,22)23;1-24(17-9-22-11-23-10-17)16-5-13(4-15(20)6-16)18(25)3-12-2-14(19)8-21-7-12;1-24(15-9-21-11-22-10-15)17-6-12(2-5-16(17)20)18(25)7-14-4-3-13(19)8-23-14;1-11-9-24-17(21-11)6-16(23)12-3-4-14(18)15(5-12)22(2)13-7-19-10-20-8-13;1-21(14-8-18-10-19-9-14)13-5-11(4-12(17)6-13)15(22)7-16-20-2-3-23-16/h2-6,8-11H,7H2,1H3;2,4-11H,3H2,1H3;2-6,8-11H,7H2,1H3;3-5,7-10H,6H2,1-2H3;2-6,8-10H,7H2,1H3.
What are the key properties of 1-[3-Chloro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(1,3-thiazol-2-yl)ethanone;2-(5-chloro-3-pyridinyl)-1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]ethanone;1-[4-fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(5-fluoro-2-pyridinyl)ethanone;1-[4-fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-[5-(trifluoromethyl)-2-pyridinyl]ethanone?
1-[3-Chloro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(1,3-thiazol-2-yl)ethanone;2-(5-chloro-3-pyridinyl)-1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]ethanone;1-[4-fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(5-fluoro-2-pyridinyl)ethanone;1-[4-fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-[5-(trifluoromethyl)-2-pyridinyl]ethanone has a molecular weight of 1774.70 g/mol, XLogP of not available, 25 rotatable bonds, 0 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-Chloro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(1,3-thiazol-2-yl)ethanone;2-(5-chloro-3-pyridinyl)-1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]ethanone;1-[4-fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(5-fluoro-2-pyridinyl)ethanone;1-[4-fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-[5-(trifluoromethyl)-2-pyridinyl]ethanone is sourced from PubChem (CID 157502588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).