2-(1,1-difluoroethyl)-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-1,3-thiazole-4-carboxamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-4-methylpyridine-2-carboxamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-6-methylpyridine-2-carboxamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-1,3-thiazole-4-carboxamide

C82H60F7N19O10S2 — CID 158813592

IUPAC2-(1,1-difluoroethyl)-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-1,3-thiazole-4-carboxamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-4-methylpyridine-2-carboxamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-6-methylpyridine-2-carboxamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-1,3-thiazole-4-carboxamide
SMILESCC(F)(F)c1nc(C(=O)Nc2cc(F)cc(Oc3cncnc3)c2)cs1.Cc1cccc(C(=O)Nc2cc(F)cc(Oc3cncnc3)c2)c1.Cc1cccc(C(=O)Nc2cc(F)cc(Oc3cncnc3)c2)n1.Cc1ccnc(C(=O)Nc2cc(F)cc(Oc3cncnc3)c2)c1.O=C(Nc1cc(F)cc(Oc2cncnc2)c1)c1cscn1
InChIInChI=1S/C18H14FN3O2.2C17H13FN4O2.C16H11F3N4O2S.C14H9FN4O2S/c1-12-3-2-4-13(5-12)18(23)22-15-6-14(19)7-16(8-15)24-17-9-20-11-21-10-17;1-11-2-3-21-16(4-11)17(23)22-13-5-12(18)6-14(7-13)24-15-8-19-10-20-9-15;1-11-3-2-4-16(21-11)17(23)22-13-5-12(18)6-14(7-13)24-15-8-19-10-20-9-15;1-16(18,19)15-23-13(7-26-15)14(24)22-10-2-9(17)3-11(4-10)25-12-5-20-8-21-6-12;15-9-1-10(19-14(20)13-6-22-8-18-13)3-11(2-9)21-12-4-16-7-17-5-12/h2-11H,1H3,(H,22,23);2*2-10H,1H3,(H,22,23);2-8H,1H3,(H,22,24);1-8H,(H,19,20)
InChIKeyIUZIKMHAEONRCV-UHFFFAOYSA-N
MW1668.62 g/mol
LogP18.04
Rot. Bonds21

About 2-(1,1-difluoroethyl)-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-1,3-thiazole-4-carboxamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-4-methylpyridine-2-carboxamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-6-methylpyridine-2-carboxamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-1,3-thiazole-4-carboxamide

2-(1,1-difluoroethyl)-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-1,3-thiazole-4-carboxamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-4-methylpyridine-2-carboxamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-6-methylpyridine-2-carboxamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-1,3-thiazole-4-carboxamide (PubChem CID 158813592) has the molecular formula C82H60F7N19O10S2 and a molecular weight of 1668.62 g/mol. Its IUPAC name is 2-(1,1-difluoroethyl)-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-1,3-thiazole-4-carboxamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-4-methylpyridine-2-carboxamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-6-methylpyridine-2-carboxamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(1,1-difluoroethyl)-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-1,3-thiazole-4-carboxamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-4-methylpyridine-2-carboxamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-6-methylpyridine-2-carboxamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-1,3-thiazole-4-carboxamide
PubChem CID158813592
Molecular FormulaC82H60F7N19O10S2
Molecular Weight1668.62 g/mol
Exact Mass1667.41
IUPAC Name2-(1,1-difluoroethyl)-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-1,3-thiazole-4-carboxamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-4-methylpyridine-2-carboxamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-6-methylpyridine-2-carboxamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-1,3-thiazole-4-carboxamide
SMILESCC(F)(F)c1nc(C(=O)Nc2cc(F)cc(Oc3cncnc3)c2)cs1.Cc1cccc(C(=O)Nc2cc(F)cc(Oc3cncnc3)c2)c1.Cc1cccc(C(=O)Nc2cc(F)cc(Oc3cncnc3)c2)n1.Cc1ccnc(C(=O)Nc2cc(F)cc(Oc3cncnc3)c2)c1.O=C(Nc1cc(F)cc(Oc2cncnc2)c1)c1cscn1
InChIInChI=1S/C18H14FN3O2.2C17H13FN4O2.C16H11F3N4O2S.C14H9FN4O2S/c1-12-3-2-4-13(5-12)18(23)22-15-6-14(19)7-16(8-15)24-17-9-20-11-21-10-17;1-11-2-3-21-16(4-11)17(23)22-13-5-12(18)6-14(7-13)24-15-8-19-10-20-9-15;1-11-3-2-4-16(21-11)17(23)22-13-5-12(18)6-14(7-13)24-15-8-19-10-20-9-15;1-16(18,19)15-23-13(7-26-15)14(24)22-10-2-9(17)3-11(4-10)25-12-5-20-8-21-6-12;15-9-1-10(19-14(20)13-6-22-8-18-13)3-11(2-9)21-12-4-16-7-17-5-12/h2-11H,1H3,(H,22,23);2*2-10H,1H3,(H,22,23);2-8H,1H3,(H,22,24);1-8H,(H,19,20)
InChIKeyIUZIKMHAEONRCV-UHFFFAOYSA-N
XLogP18.04
TPSA372.11 Ų
H-Bond Donors5
H-Bond Acceptors26
Rotatable Bonds21
Heavy Atoms120
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001668.62
LogP ≤ 518.04
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1026

Analyze 2-(1,1-difluoroethyl)-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-1,3-thiazole-4-carboxamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-4-methylpyridine-2-carboxamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-6-methylpyridine-2-carboxamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-1,3-thiazole-4-carboxamide with MolForge

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Related Compounds

1-(2,6-Difluorophenyl)-2-[3-[5-[2-[3-[2-(dimethylamino)ethoxy]anilino]pyrimidin-4-yl]-2-piperidin-1-yl-1,3-thiazol-4-yl]phenyl]ethanone
CID 58236670
N-[3-[5-[2-[3-[2-(dimethylamino)ethoxy]anilino]pyrimidin-4-yl]-2-(4-morpholin-4-ylbutyl)-1,3-thiazol-4-yl]phenyl]-2,6-difluorobenzamide
CID 58236872
N-{3-[5-{2-[(3-{[2-(Dimethylamino)ethyl]oxy}phenyl)amino]-4-pyrimidinyl}-2-(1-piperidinyl)-1,3-thiazol-4-yl]phenyl}-2,6-difluorobenzamide
CID 67104848
3-(1,1-difluoroethyl)-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-4-propan-2-yloxypyridine-2-carboxamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-1,3-thiazole-2-carboxamide
CID 123261090
6-(1,1-difluoroethyl)-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)pyridine-2-carboxamide;3-methyl-N-(3-pyridin-3-yloxyphenyl)benzamide;6-methyl-N-(3-pyridin-3-yloxyphenyl)pyridine-2-carboxamide
CID 123268019
2-[4-(1,1-Difluoroethyl)-2-pyridinyl]-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone;1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(5-fluoro-4-methyl-1,3-thiazol-2-yl)ethanone;1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(1,3-thiazol-2-yl)ethanone;1-(3-methyl-5-pyrimidin-5-yloxyphenyl)-2-(5-methyl-1,3-thiazol-2-yl)ethanone;2-(4-methyl-1,3-thiazol-2-yl)-1-(3-pyrimidin-5-yloxyphenyl)ethanone
CID 123315204
N-(3-cyano-5-pyrimidin-5-yloxyphenyl)-4-propan-2-yloxypyridine-2-carboxamide;2-(1,1-difluoroethyl)-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-1,3-thiazole-4-carboxamide;6-(1,1-difluoroethyl)-N-[3-[methyl(pyrimidin-5-yl)amino]phenyl]pyridine-2-carboxamide;6-methyl-N-[3-[methyl(pyrimidin-5-yl)amino]phenyl]pyridine-2-carboxamide
CID 123487844
N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-3-methoxybenzamide;3-methyl-N-[3-[methyl-[5-(trifluoromethyl)-3-pyridinyl]amino]phenyl]benzamide;N-(3-pyridin-3-yloxyphenyl)pyridine-2-carboxamide
CID 123765627
4-ethynyl-N-(5-pyrimidin-5-yloxy-3-pyridinyl)thiophene-2-carboxamide;4-methoxy-N-(5-pyrimidin-5-yloxy-3-pyridinyl)pyridine-2-carboxamide;3-methyl-N-(4-pyridin-3-yloxypyrimidin-2-yl)benzamide;3-methyl-N-[6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-2-pyridinyl]benzamide
CID 123858230
3-(1,1-difluoroethoxy)-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide;2-(1,1-difluoroethyl)-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-1,3-thiazole-4-carboxamide;3-ethynyl-N-[3-[methyl-[5-(trifluoromethyl)-3-pyridinyl]amino]phenyl]benzamide;N-(3-fluoro-5-pyridin-3-yloxyphenyl)-6-methylpyridine-2-carboxamide;N-(3-iodo-5-pyridin-3-yloxyphenyl)-3-methylbenzamide
CID 123862054
6-(1,1-difluoroethyl)-N-(5-pyrimidin-5-yloxy-3-pyridinyl)pyridine-2-carboxamide;2-(1,1-difluoroethyl)-N-(5-pyrimidin-5-yloxy-3-pyridinyl)-1,3-thiazole-4-carboxamide;4-ethynyl-N-(5-pyrimidin-5-yloxy-3-pyridinyl)thiophene-2-carboxamide;4-fluoro-N-(5-pyrimidin-5-yloxy-3-pyridinyl)pyridine-2-carboxamide;3-methyl-N-(5-pyrimidin-5-yloxy-3-pyridinyl)benzamide;6-methyl-N-(5-pyrimidin-5-yloxy-3-pyridinyl)pyridine-2-carboxamide
CID 123921060
6-(1,1-difluoroethyl)-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)pyridine-2-carboxamide;3-methyl-N-(3-pyrimidin-5-yloxyphenyl)benzamide
CID 123947220

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-difluoroethyl)-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-1,3-thiazole-4-carboxamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-4-methylpyridine-2-carboxamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-6-methylpyridine-2-carboxamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(1,1-difluoroethyl)-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-1,3-thiazole-4-carboxamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-4-methylpyridine-2-carboxamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-6-methylpyridine-2-carboxamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-1,3-thiazole-4-carboxamide (CID 158813592) is 2-(1,1-difluoroethyl)-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-1,3-thiazole-4-carboxamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-4-methylpyridine-2-carboxamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-6-methylpyridine-2-carboxamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(1,1-difluoroethyl)-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-1,3-thiazole-4-carboxamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-4-methylpyridine-2-carboxamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-6-methylpyridine-2-carboxamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(1,1-difluoroethyl)-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-1,3-thiazole-4-carboxamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-4-methylpyridine-2-carboxamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-6-methylpyridine-2-carboxamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-1,3-thiazole-4-carboxamide is CC(F)(F)c1nc(C(=O)Nc2cc(F)cc(Oc3cncnc3)c2)cs1.Cc1cccc(C(=O)Nc2cc(F)cc(Oc3cncnc3)c2)c1.Cc1cccc(C(=O)Nc2cc(F)cc(Oc3cncnc3)c2)n1.Cc1ccnc(C(=O)Nc2cc(F)cc(Oc3cncnc3)c2)c1.O=C(Nc1cc(F)cc(Oc2cncnc2)c1)c1cscn1.
What is the InChIKey of 2-(1,1-difluoroethyl)-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-1,3-thiazole-4-carboxamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-4-methylpyridine-2-carboxamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-6-methylpyridine-2-carboxamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is IUZIKMHAEONRCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN3O2.2C17H13FN4O2.C16H11F3N4O2S.C14H9FN4O2S/c1-12-3-2-4-13(5-12)18(23)22-15-6-14(19)7-16(8-15)24-17-9-20-11-21-10-17;1-11-2-3-21-16(4-11)17(23)22-13-5-12(18)6-14(7-13)24-15-8-19-10-20-9-15;1-11-3-2-4-16(21-11)17(23)22-13-5-12(18)6-14(7-13)24-15-8-19-10-20-9-15;1-16(18,19)15-23-13(7-26-15)14(24)22-10-2-9(17)3-11(4-10)25-12-5-20-8-21-6-12;15-9-1-10(19-14(20)13-6-22-8-18-13)3-11(2-9)21-12-4-16-7-17-5-12/h2-11H,1H3,(H,22,23);2*2-10H,1H3,(H,22,23);2-8H,1H3,(H,22,24);1-8H,(H,19,20).
What are the key properties of 2-(1,1-difluoroethyl)-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-1,3-thiazole-4-carboxamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-4-methylpyridine-2-carboxamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-6-methylpyridine-2-carboxamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-1,3-thiazole-4-carboxamide?
2-(1,1-difluoroethyl)-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-1,3-thiazole-4-carboxamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-4-methylpyridine-2-carboxamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-6-methylpyridine-2-carboxamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 1668.62 g/mol, XLogP of 18.04, 21 rotatable bonds, 5 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-difluoroethyl)-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-1,3-thiazole-4-carboxamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-4-methylpyridine-2-carboxamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-6-methylpyridine-2-carboxamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 158813592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).