N-(4-morpholin-2-ylphenyl)-2-phenyl-1,3-thiazole-4-carboxamide;N-(4-morpholin-2-ylphenyl)-2-phenyl-1,3-thiazole-5-carboxamide;N-[4-[(3S)-piperidin-3-yl]phenyl]-3-(trifluoromethyl)benzamide

C59H57F3N8O5S2 — CID 159882476

IUPACN-(4-morpholin-2-ylphenyl)-2-phenyl-1,3-thiazole-4-carboxamide;N-(4-morpholin-2-ylphenyl)-2-phenyl-1,3-thiazole-5-carboxamide;N-[4-[(3S)-piperidin-3-yl]phenyl]-3-(trifluoromethyl)benzamide
SMILESO=C(Nc1ccc(C2CNCCO2)cc1)c1cnc(-c2ccccc2)s1.O=C(Nc1ccc(C2CNCCO2)cc1)c1csc(-c2ccccc2)n1.O=C(Nc1ccc([C@@H]2CCCNC2)cc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/2C20H19N3O2S.C19H19F3N2O/c24-19(17-13-26-20(23-17)15-4-2-1-3-5-15)22-16-8-6-14(7-9-16)18-12-21-10-11-25-18;24-19(18-13-22-20(26-18)15-4-2-1-3-5-15)23-16-8-6-14(7-9-16)17-12-21-10-11-25-17;20-19(21,22)16-5-1-3-14(11-16)18(25)24-17-8-6-13(7-9-17)15-4-2-10-23-12-15/h1-9,13,18,21H,10-12H2,(H,22,24);1-9,13,17,21H,10-12H2,(H,23,24);1,3,5-9,11,15,23H,2,4,10,12H2,(H,24,25)/t;;15-/m..1/s1
InChIKeyNTRTURIYBICNQY-INZYAJRGSA-N
MW1079.28 g/mol
LogP11.87
Rot. Bonds11

About N-(4-morpholin-2-ylphenyl)-2-phenyl-1,3-thiazole-4-carboxamide;N-(4-morpholin-2-ylphenyl)-2-phenyl-1,3-thiazole-5-carboxamide;N-[4-[(3S)-piperidin-3-yl]phenyl]-3-(trifluoromethyl)benzamide

N-(4-morpholin-2-ylphenyl)-2-phenyl-1,3-thiazole-4-carboxamide;N-(4-morpholin-2-ylphenyl)-2-phenyl-1,3-thiazole-5-carboxamide;N-[4-[(3S)-piperidin-3-yl]phenyl]-3-(trifluoromethyl)benzamide (PubChem CID 159882476) has the molecular formula C59H57F3N8O5S2 and a molecular weight of 1079.28 g/mol. Its IUPAC name is N-(4-morpholin-2-ylphenyl)-2-phenyl-1,3-thiazole-4-carboxamide;N-(4-morpholin-2-ylphenyl)-2-phenyl-1,3-thiazole-5-carboxamide;N-[4-[(3S)-piperidin-3-yl]phenyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(4-morpholin-2-ylphenyl)-2-phenyl-1,3-thiazole-4-carboxamide;N-(4-morpholin-2-ylphenyl)-2-phenyl-1,3-thiazole-5-carboxamide;N-[4-[(3S)-piperidin-3-yl]phenyl]-3-(trifluoromethyl)benzamide
PubChem CID159882476
Molecular FormulaC59H57F3N8O5S2
Molecular Weight1079.28 g/mol
Exact Mass1078.38
IUPAC NameN-(4-morpholin-2-ylphenyl)-2-phenyl-1,3-thiazole-4-carboxamide;N-(4-morpholin-2-ylphenyl)-2-phenyl-1,3-thiazole-5-carboxamide;N-[4-[(3S)-piperidin-3-yl]phenyl]-3-(trifluoromethyl)benzamide
SMILESO=C(Nc1ccc(C2CNCCO2)cc1)c1cnc(-c2ccccc2)s1.O=C(Nc1ccc(C2CNCCO2)cc1)c1csc(-c2ccccc2)n1.O=C(Nc1ccc([C@@H]2CCCNC2)cc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/2C20H19N3O2S.C19H19F3N2O/c24-19(17-13-26-20(23-17)15-4-2-1-3-5-15)22-16-8-6-14(7-9-16)18-12-21-10-11-25-18;24-19(18-13-22-20(26-18)15-4-2-1-3-5-15)23-16-8-6-14(7-9-16)17-12-21-10-11-25-17;20-19(21,22)16-5-1-3-14(11-16)18(25)24-17-8-6-13(7-9-17)15-4-2-10-23-12-15/h1-9,13,18,21H,10-12H2,(H,22,24);1-9,13,17,21H,10-12H2,(H,23,24);1,3,5-9,11,15,23H,2,4,10,12H2,(H,24,25)/t;;15-/m..1/s1
InChIKeyNTRTURIYBICNQY-INZYAJRGSA-N
XLogP11.87
TPSA167.63 Ų
H-Bond Donors6
H-Bond Acceptors12
Rotatable Bonds11
Heavy Atoms77
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001079.28
LogP ≤ 511.87
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1012

Analyze N-(4-morpholin-2-ylphenyl)-2-phenyl-1,3-thiazole-4-carboxamide;N-(4-morpholin-2-ylphenyl)-2-phenyl-1,3-thiazole-5-carboxamide;N-[4-[(3S)-piperidin-3-yl]phenyl]-3-(trifluoromethyl)benzamide with MolForge

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Related Compounds

4-methylsulfanyl-N-[4-[(3S)-piperidin-3-yl]phenyl]benzamide;N-(4-morpholin-2-ylphenyl)-2-phenyl-1,3-thiazole-4-carboxamide;N-[4-[(3S)-piperidin-3-yl]phenyl]-3-(trifluoromethyl)benzamide
CID 157502405
N-(4-morpholin-2-ylphenyl)-2-phenyl-1,3-thiazole-4-carboxamide;N-[4-[(3S)-piperidin-3-yl]phenyl]-3-(trifluoromethyl)benzamide
CID 160228099
4-chloro-2-fluoro-N-[4-[(2S)-morpholin-2-yl]phenyl]benzamide;4-chloro-2-fluoro-N-[4-[(2R)-morpholin-2-yl]phenyl]benzamide;N-(4-morpholin-2-ylphenyl)-2-phenyl-1,3-thiazole-5-carboxamide
CID 159116733
[(2R,3S)-3-amino-4-(3,5-difluorophenyl)-1-[(3-ethylphenyl)methylamino]butan-2-yl] 2-(dipropylcarbamoyl)-6-methylpyridine-4-carboxylate;[(2R,3S)-3-amino-4-(3,5-difluorophenyl)-1-[(3-ethylphenyl)methylamino]butan-2-yl] 3-(dipropylcarbamoyl)-5-(1,3-thiazol-2-yl)benzoate;3-N-[(2R,3S)-3-amino-4-(3,5-difluorophenyl)-2-hydroxybutyl]-3-N-[(3-ethylphenyl)methyl]-1-N,1-N-dipropyl-5-(1,3-thiazol-2-yl)benzene-1,3-dicarboxamide
CID 160153694
6-ethyl-N-[4-[(3S)-piperidin-3-yl]phenyl]pyridine-3-carboxamide;N-(4-morpholin-2-ylphenyl)-2-pyrazin-2-yl-1,3-thiazole-4-carboxamide;N-[4-[(3S)-piperidin-3-yl]phenyl]-6-propylpyridine-3-carboxamide
CID 162038188

Frequently Asked Questions

What is the IUPAC name of N-(4-morpholin-2-ylphenyl)-2-phenyl-1,3-thiazole-4-carboxamide;N-(4-morpholin-2-ylphenyl)-2-phenyl-1,3-thiazole-5-carboxamide;N-[4-[(3S)-piperidin-3-yl]phenyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-(4-morpholin-2-ylphenyl)-2-phenyl-1,3-thiazole-4-carboxamide;N-(4-morpholin-2-ylphenyl)-2-phenyl-1,3-thiazole-5-carboxamide;N-[4-[(3S)-piperidin-3-yl]phenyl]-3-(trifluoromethyl)benzamide (CID 159882476) is N-(4-morpholin-2-ylphenyl)-2-phenyl-1,3-thiazole-4-carboxamide;N-(4-morpholin-2-ylphenyl)-2-phenyl-1,3-thiazole-5-carboxamide;N-[4-[(3S)-piperidin-3-yl]phenyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(4-morpholin-2-ylphenyl)-2-phenyl-1,3-thiazole-4-carboxamide;N-(4-morpholin-2-ylphenyl)-2-phenyl-1,3-thiazole-5-carboxamide;N-[4-[(3S)-piperidin-3-yl]phenyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-(4-morpholin-2-ylphenyl)-2-phenyl-1,3-thiazole-4-carboxamide;N-(4-morpholin-2-ylphenyl)-2-phenyl-1,3-thiazole-5-carboxamide;N-[4-[(3S)-piperidin-3-yl]phenyl]-3-(trifluoromethyl)benzamide is O=C(Nc1ccc(C2CNCCO2)cc1)c1cnc(-c2ccccc2)s1.O=C(Nc1ccc(C2CNCCO2)cc1)c1csc(-c2ccccc2)n1.O=C(Nc1ccc([C@@H]2CCCNC2)cc1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-(4-morpholin-2-ylphenyl)-2-phenyl-1,3-thiazole-4-carboxamide;N-(4-morpholin-2-ylphenyl)-2-phenyl-1,3-thiazole-5-carboxamide;N-[4-[(3S)-piperidin-3-yl]phenyl]-3-(trifluoromethyl)benzamide?
The InChIKey is NTRTURIYBICNQY-INZYAJRGSA-N. The full InChI is InChI=1S/2C20H19N3O2S.C19H19F3N2O/c24-19(17-13-26-20(23-17)15-4-2-1-3-5-15)22-16-8-6-14(7-9-16)18-12-21-10-11-25-18;24-19(18-13-22-20(26-18)15-4-2-1-3-5-15)23-16-8-6-14(7-9-16)17-12-21-10-11-25-17;20-19(21,22)16-5-1-3-14(11-16)18(25)24-17-8-6-13(7-9-17)15-4-2-10-23-12-15/h1-9,13,18,21H,10-12H2,(H,22,24);1-9,13,17,21H,10-12H2,(H,23,24);1,3,5-9,11,15,23H,2,4,10,12H2,(H,24,25)/t;;15-/m..1/s1.
What are the key properties of N-(4-morpholin-2-ylphenyl)-2-phenyl-1,3-thiazole-4-carboxamide;N-(4-morpholin-2-ylphenyl)-2-phenyl-1,3-thiazole-5-carboxamide;N-[4-[(3S)-piperidin-3-yl]phenyl]-3-(trifluoromethyl)benzamide?
N-(4-morpholin-2-ylphenyl)-2-phenyl-1,3-thiazole-4-carboxamide;N-(4-morpholin-2-ylphenyl)-2-phenyl-1,3-thiazole-5-carboxamide;N-[4-[(3S)-piperidin-3-yl]phenyl]-3-(trifluoromethyl)benzamide has a molecular weight of 1079.28 g/mol, XLogP of 11.87, 11 rotatable bonds, 6 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-morpholin-2-ylphenyl)-2-phenyl-1,3-thiazole-4-carboxamide;N-(4-morpholin-2-ylphenyl)-2-phenyl-1,3-thiazole-5-carboxamide;N-[4-[(3S)-piperidin-3-yl]phenyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 159882476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).