N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]-1,3-thiazole-2-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]-1,3-thiazole-4-carboxamide;1-[(2-methylphenyl)methyl-(1,3-thiazol-4-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol

C66H65F9N6O8S3 — CID 167637599

IUPACN-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]-1,3-thiazole-2-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]-1,3-thiazole-4-carboxamide;1-[(2-methylphenyl)methyl-(1,3-thiazol-4-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol
SMILESCc1ccccc1CN(CC(O)COc1ccc(C(F)(F)F)cc1)C(=O)c1cscn1.Cc1ccccc1CN(CC(O)COc1ccc(C(F)(F)F)cc1)C(=O)c1nccs1.Cc1ccccc1CN(Cc1cscn1)CC(O)COc1ccc(C(F)(F)F)cc1
InChIInChI=1S/2C22H21F3N2O3S.C22H23F3N2O2S/c1-15-4-2-3-5-16(15)10-27(21(29)20-13-31-14-26-20)11-18(28)12-30-19-8-6-17(7-9-19)22(23,24)25;1-15-4-2-3-5-16(15)12-27(21(29)20-26-10-11-31-20)13-18(28)14-30-19-8-6-17(7-9-19)22(23,24)25;1-16-4-2-3-5-17(16)10-27(11-19-14-30-15-26-19)12-20(28)13-29-21-8-6-18(7-9-21)22(23,24)25/h2-9,13-14,18,28H,10-12H2,1H3;2-11,18,28H,12-14H2,1H3;2-9,14-15,20,28H,10-13H2,1H3
InChIKeyORUJFYWNMADUOZ-UHFFFAOYSA-N
MW1337.46 g/mol
LogP14.02
Rot. Bonds25

About N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]-1,3-thiazole-2-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]-1,3-thiazole-4-carboxamide;1-[(2-methylphenyl)methyl-(1,3-thiazol-4-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol

N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]-1,3-thiazole-2-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]-1,3-thiazole-4-carboxamide;1-[(2-methylphenyl)methyl-(1,3-thiazol-4-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol (PubChem CID 167637599) has the molecular formula C66H65F9N6O8S3 and a molecular weight of 1337.46 g/mol. Its IUPAC name is N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]-1,3-thiazole-2-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]-1,3-thiazole-4-carboxamide;1-[(2-methylphenyl)methyl-(1,3-thiazol-4-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol.

Molecular Properties

Compound NameN-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]-1,3-thiazole-2-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]-1,3-thiazole-4-carboxamide;1-[(2-methylphenyl)methyl-(1,3-thiazol-4-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol
PubChem CID167637599
Molecular FormulaC66H65F9N6O8S3
Molecular Weight1337.46 g/mol
Exact Mass1336.39
IUPAC NameN-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]-1,3-thiazole-2-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]-1,3-thiazole-4-carboxamide;1-[(2-methylphenyl)methyl-(1,3-thiazol-4-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol
SMILESCc1ccccc1CN(CC(O)COc1ccc(C(F)(F)F)cc1)C(=O)c1cscn1.Cc1ccccc1CN(CC(O)COc1ccc(C(F)(F)F)cc1)C(=O)c1nccs1.Cc1ccccc1CN(Cc1cscn1)CC(O)COc1ccc(C(F)(F)F)cc1
InChIInChI=1S/2C22H21F3N2O3S.C22H23F3N2O2S/c1-15-4-2-3-5-16(15)10-27(21(29)20-13-31-14-26-20)11-18(28)12-30-19-8-6-17(7-9-19)22(23,24)25;1-15-4-2-3-5-16(15)12-27(21(29)20-26-10-11-31-20)13-18(28)14-30-19-8-6-17(7-9-19)22(23,24)25;1-16-4-2-3-5-17(16)10-27(11-19-14-30-15-26-19)12-20(28)13-29-21-8-6-18(7-9-21)22(23,24)25/h2-9,13-14,18,28H,10-12H2,1H3;2-11,18,28H,12-14H2,1H3;2-9,14-15,20,28H,10-13H2,1H3
InChIKeyORUJFYWNMADUOZ-UHFFFAOYSA-N
XLogP14.02
TPSA170.91 Ų
H-Bond Donors3
H-Bond Acceptors15
Rotatable Bonds25
Heavy Atoms92
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001337.46
LogP ≤ 514.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1015

Analyze N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]-1,3-thiazole-2-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]-1,3-thiazole-4-carboxamide;1-[(2-methylphenyl)methyl-(1,3-thiazol-4-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol with MolForge

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Related Compounds

1-[cyclopenta-1,3-dien-1-ylmethyl-[(2-methylphenyl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol
CID 166010540
N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]cyclopenta-1,3-diene-1-carboxamide;tetrakis(N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]cyclopenta-1,4-diene-1-carboxamide)
CID 167551647
1-[(3-methylimidazol-4-yl)methyl-[(2-methylphenyl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol
CID 166010608
N-ethyl-N-[(2-methylphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 63049222
1-[(2-chlorophenyl)methyl-[(1-methylimidazol-2-yl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-chlorophenyl)methyl-(1,3-thiazol-5-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-5-methyl-N-[(2-methylphenyl)methyl]-1H-pyrazole-4-carboxamide;N-[(2-methylphenyl)methyl]-N-(1,3-thiazol-5-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
CID 167684724
3-[[[2-hydroxy-3-(4-methylphenoxy)propyl]-[(2-methylphenyl)methyl]amino]methyl]benzamide
CID 167570832
5-[[[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-[(2-methylphenyl)methyl]amino]methyl]piperidin-2-one;5-[[[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-[(2-methylphenyl)methyl]amino]methyl]-1H-pyridin-2-one;1-[(2-methylphenyl)methyl-(pyridin-4-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-methylphenyl)methyl-(quinolin-6-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol
CID 167617103
1-[(2-methylphenyl)methyl-propylamino]-3-phenoxypropan-2-ol
CID 24717323
(2R)-1-[(2-methylphenyl)methyl-propylamino]-3-phenoxypropan-2-ol
CID 93162759
1-[benzyl(methyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol
CID 166193938
3-[[[2-hydroxy-3-(4-methylphenoxy)propyl]-[(2-methylphenyl)methyl]amino]methyl]benzonitrile
CID 167570831
(2S)-1-[benzyl-[(2-methylphenyl)methyl]amino]-3-phenylmethoxypropan-2-ol
CID 93164962

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]-1,3-thiazole-2-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]-1,3-thiazole-4-carboxamide;1-[(2-methylphenyl)methyl-(1,3-thiazol-4-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol?
The IUPAC name of N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]-1,3-thiazole-2-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]-1,3-thiazole-4-carboxamide;1-[(2-methylphenyl)methyl-(1,3-thiazol-4-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol (CID 167637599) is N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]-1,3-thiazole-2-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]-1,3-thiazole-4-carboxamide;1-[(2-methylphenyl)methyl-(1,3-thiazol-4-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol.
What is the SMILES notation for N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]-1,3-thiazole-2-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]-1,3-thiazole-4-carboxamide;1-[(2-methylphenyl)methyl-(1,3-thiazol-4-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol?
The canonical SMILES for N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]-1,3-thiazole-2-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]-1,3-thiazole-4-carboxamide;1-[(2-methylphenyl)methyl-(1,3-thiazol-4-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol is Cc1ccccc1CN(CC(O)COc1ccc(C(F)(F)F)cc1)C(=O)c1cscn1.Cc1ccccc1CN(CC(O)COc1ccc(C(F)(F)F)cc1)C(=O)c1nccs1.Cc1ccccc1CN(Cc1cscn1)CC(O)COc1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]-1,3-thiazole-2-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]-1,3-thiazole-4-carboxamide;1-[(2-methylphenyl)methyl-(1,3-thiazol-4-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol?
The InChIKey is ORUJFYWNMADUOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C22H21F3N2O3S.C22H23F3N2O2S/c1-15-4-2-3-5-16(15)10-27(21(29)20-13-31-14-26-20)11-18(28)12-30-19-8-6-17(7-9-19)22(23,24)25;1-15-4-2-3-5-16(15)12-27(21(29)20-26-10-11-31-20)13-18(28)14-30-19-8-6-17(7-9-19)22(23,24)25;1-16-4-2-3-5-17(16)10-27(11-19-14-30-15-26-19)12-20(28)13-29-21-8-6-18(7-9-21)22(23,24)25/h2-9,13-14,18,28H,10-12H2,1H3;2-11,18,28H,12-14H2,1H3;2-9,14-15,20,28H,10-13H2,1H3.
What are the key properties of N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]-1,3-thiazole-2-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]-1,3-thiazole-4-carboxamide;1-[(2-methylphenyl)methyl-(1,3-thiazol-4-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol?
N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]-1,3-thiazole-2-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]-1,3-thiazole-4-carboxamide;1-[(2-methylphenyl)methyl-(1,3-thiazol-4-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol has a molecular weight of 1337.46 g/mol, XLogP of 14.02, 25 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]-1,3-thiazole-2-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]-1,3-thiazole-4-carboxamide;1-[(2-methylphenyl)methyl-(1,3-thiazol-4-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol is sourced from PubChem (CID 167637599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).