(2R)-2-(1,3-thiazol-2-yl)-N-[(1S)-2,2,2-trifluoro-1-(3-methylphenyl)ethyl]morpholine-4-carboxamide

C17H18F3N3O2S — CID 99697628

IUPAC(2R)-2-(1,3-thiazol-2-yl)-N-[(1S)-2,2,2-trifluoro-1-(3-methylphenyl)ethyl]morpholine-4-carboxamide
SMILESCc1cccc([C@H](NC(=O)N2CCO[C@@H](c3nccs3)C2)C(F)(F)F)c1
InChIInChI=1S/C17H18F3N3O2S/c1-11-3-2-4-12(9-11)14(17(18,19)20)22-16(24)23-6-7-25-13(10-23)15-21-5-8-26-15/h2-5,8-9,13-14H,6-7,10H2,1H3,(H,22,24)/t13-,14+/m1/s1
InChIKeyBPIAFFSRRJKJJD-KGLIPLIRSA-N
MW385.41 g/mol
LogP3.84
Rot. Bonds3

About (2R)-2-(1,3-thiazol-2-yl)-N-[(1S)-2,2,2-trifluoro-1-(3-methylphenyl)ethyl]morpholine-4-carboxamide

(2R)-2-(1,3-thiazol-2-yl)-N-[(1S)-2,2,2-trifluoro-1-(3-methylphenyl)ethyl]morpholine-4-carboxamide (PubChem CID 99697628) has the molecular formula C17H18F3N3O2S and a molecular weight of 385.41 g/mol. Its IUPAC name is (2R)-2-(1,3-thiazol-2-yl)-N-[(1S)-2,2,2-trifluoro-1-(3-methylphenyl)ethyl]morpholine-4-carboxamide.

Molecular Properties

Compound Name(2R)-2-(1,3-thiazol-2-yl)-N-[(1S)-2,2,2-trifluoro-1-(3-methylphenyl)ethyl]morpholine-4-carboxamide
PubChem CID99697628
Molecular FormulaC17H18F3N3O2S
Molecular Weight385.41 g/mol
Exact Mass385.11
IUPAC Name(2R)-2-(1,3-thiazol-2-yl)-N-[(1S)-2,2,2-trifluoro-1-(3-methylphenyl)ethyl]morpholine-4-carboxamide
SMILESCc1cccc([C@H](NC(=O)N2CCO[C@@H](c3nccs3)C2)C(F)(F)F)c1
InChIInChI=1S/C17H18F3N3O2S/c1-11-3-2-4-12(9-11)14(17(18,19)20)22-16(24)23-6-7-25-13(10-23)15-21-5-8-26-15/h2-5,8-9,13-14H,6-7,10H2,1H3,(H,22,24)/t13-,14+/m1/s1
InChIKeyBPIAFFSRRJKJJD-KGLIPLIRSA-N
XLogP3.84
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.41
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-2-(1,3-thiazol-2-yl)morpholine-4-carboxamide
CID 127308401
N-(2-chloro-6-methylphenyl)-2-(1,3-thiazol-2-yl)morpholine-4-carboxamide
CID 75509283
N-(2,2-dimethylbutyl)-2-(1,3-thiazol-2-yl)morpholine-4-carboxamide
CID 167965443
N-(1,2,3,4-tetrahydroquinolin-6-yl)-2-(1,3-thiazol-2-yl)morpholine-4-carboxamide
CID 128762194
(2S)-N-(5-propan-2-yl-1,3-thiazol-2-yl)-2-(1,3-thiazol-2-yl)morpholine-4-carboxamide
CID 124624197
(5-methyl-1,3-oxazol-2-yl)-[2-(1,3-thiazol-2-yl)morpholin-4-yl]methanone
CID 154738404
(4-ethylcyclohexyl)-[(2R)-2-(1,3-thiazol-2-yl)morpholin-4-yl]methanone
CID 124832131
(2S)-2-(3-methylphenyl)-1-[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one
CID 95774334
[5-(4-methoxyphenyl)-3-pyridinyl]-[2-(1,3-thiazol-2-yl)morpholin-4-yl]methanone
CID 126788795
1-[[2,2-dimethyl-1-(3-methylphenyl)propyl]carbamoyl]piperidine-4-carboxylic acid
CID 122005301
N-[1-(5-fluoro-3-pyridinyl)ethyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine-4-carboxamide
CID 136540841
6-ethyl-5-methyl-3-[2-(1,3-thiazol-2-yl)morpholine-4-carbonyl]-1H-pyridin-2-one
CID 167845537

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(1,3-thiazol-2-yl)-N-[(1S)-2,2,2-trifluoro-1-(3-methylphenyl)ethyl]morpholine-4-carboxamide?
The IUPAC name of (2R)-2-(1,3-thiazol-2-yl)-N-[(1S)-2,2,2-trifluoro-1-(3-methylphenyl)ethyl]morpholine-4-carboxamide (CID 99697628) is (2R)-2-(1,3-thiazol-2-yl)-N-[(1S)-2,2,2-trifluoro-1-(3-methylphenyl)ethyl]morpholine-4-carboxamide.
What is the SMILES notation for (2R)-2-(1,3-thiazol-2-yl)-N-[(1S)-2,2,2-trifluoro-1-(3-methylphenyl)ethyl]morpholine-4-carboxamide?
The canonical SMILES for (2R)-2-(1,3-thiazol-2-yl)-N-[(1S)-2,2,2-trifluoro-1-(3-methylphenyl)ethyl]morpholine-4-carboxamide is Cc1cccc([C@H](NC(=O)N2CCO[C@@H](c3nccs3)C2)C(F)(F)F)c1.
What is the InChIKey of (2R)-2-(1,3-thiazol-2-yl)-N-[(1S)-2,2,2-trifluoro-1-(3-methylphenyl)ethyl]morpholine-4-carboxamide?
The InChIKey is BPIAFFSRRJKJJD-KGLIPLIRSA-N. The full InChI is InChI=1S/C17H18F3N3O2S/c1-11-3-2-4-12(9-11)14(17(18,19)20)22-16(24)23-6-7-25-13(10-23)15-21-5-8-26-15/h2-5,8-9,13-14H,6-7,10H2,1H3,(H,22,24)/t13-,14+/m1/s1.
What are the key properties of (2R)-2-(1,3-thiazol-2-yl)-N-[(1S)-2,2,2-trifluoro-1-(3-methylphenyl)ethyl]morpholine-4-carboxamide?
(2R)-2-(1,3-thiazol-2-yl)-N-[(1S)-2,2,2-trifluoro-1-(3-methylphenyl)ethyl]morpholine-4-carboxamide has a molecular weight of 385.41 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(1,3-thiazol-2-yl)-N-[(1S)-2,2,2-trifluoro-1-(3-methylphenyl)ethyl]morpholine-4-carboxamide is sourced from PubChem (CID 99697628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).