2-morpholin-4-yl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]-1,3-thiazole-5-carboxamide

C17H18F3N3O2S — CID 166372591

IUPAC2-morpholin-4-yl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]-1,3-thiazole-5-carboxamide
SMILESC[C@@H](NC(=O)c1cnc(N2CCOCC2)s1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H18F3N3O2S/c1-11(12-3-2-4-13(9-12)17(18,19)20)22-15(24)14-10-21-16(26-14)23-5-7-25-8-6-23/h2-4,9-11H,5-8H2,1H3,(H,22,24)/t11-/m1/s1
InChIKeyBDZIUJXCMUCVRF-LLVKDONJSA-N
MW385.41 g/mol
LogP3.49
Rot. Bonds4

About 2-morpholin-4-yl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]-1,3-thiazole-5-carboxamide

2-morpholin-4-yl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]-1,3-thiazole-5-carboxamide (PubChem CID 166372591) has the molecular formula C17H18F3N3O2S and a molecular weight of 385.41 g/mol. Its IUPAC name is 2-morpholin-4-yl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-morpholin-4-yl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]-1,3-thiazole-5-carboxamide
PubChem CID166372591
Molecular FormulaC17H18F3N3O2S
Molecular Weight385.41 g/mol
Exact Mass385.11
IUPAC Name2-morpholin-4-yl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]-1,3-thiazole-5-carboxamide
SMILESC[C@@H](NC(=O)c1cnc(N2CCOCC2)s1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H18F3N3O2S/c1-11(12-3-2-4-13(9-12)17(18,19)20)22-15(24)14-10-21-16(26-14)23-5-7-25-8-6-23/h2-4,9-11H,5-8H2,1H3,(H,22,24)/t11-/m1/s1
InChIKeyBDZIUJXCMUCVRF-LLVKDONJSA-N
XLogP3.49
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.41
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-morpholin-4-yl-1,3-thiazole-5-carbonyl)-4-phenyl-N-[(1S)-1-phenylethyl]piperidine-4-carboxamide
CID 59527728
6-methyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]pyridine-3-carboxamide
CID 42936491
N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 41090864
2-amino-2-ethyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]butanamide
CID 79813973
2-amino-N-[1-[3-(trifluoromethyl)phenyl]ethyl]-1,3-thiazole-4-carboxamide
CID 62788576
1-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-3-[1-[3-(trifluoromethyl)phenyl]ethyl]urea
CID 60592666
N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide
CID 26313473
2,5-dimethyl-1-propan-2-yl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]pyrrole-3-carboxamide
CID 112764014
2-chloro-N-[1-[3-(trifluoromethyl)phenyl]ethyl]pyridine-3-carboxamide
CID 78778446
2-(propanoylamino)-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]pyrimidine-4-carboxamide
CID 67508804
N-[(1S)-1-[5-methyl-2-[5-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]-1,2,4-triazol-3-yl]ethyl]-3,5-bis(trifluoromethyl)benzamide
CID 167362391
5-iodo-N-[1-[3-(trifluoromethyl)phenyl]ethyl]thiophene-3-carboxamide
CID 79691672

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-morpholin-4-yl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]-1,3-thiazole-5-carboxamide (CID 166372591) is 2-morpholin-4-yl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-morpholin-4-yl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-morpholin-4-yl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]-1,3-thiazole-5-carboxamide is C[C@@H](NC(=O)c1cnc(N2CCOCC2)s1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-morpholin-4-yl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]-1,3-thiazole-5-carboxamide?
The InChIKey is BDZIUJXCMUCVRF-LLVKDONJSA-N. The full InChI is InChI=1S/C17H18F3N3O2S/c1-11(12-3-2-4-13(9-12)17(18,19)20)22-15(24)14-10-21-16(26-14)23-5-7-25-8-6-23/h2-4,9-11H,5-8H2,1H3,(H,22,24)/t11-/m1/s1.
What are the key properties of 2-morpholin-4-yl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]-1,3-thiazole-5-carboxamide?
2-morpholin-4-yl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]-1,3-thiazole-5-carboxamide has a molecular weight of 385.41 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 166372591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).