(2R)-2-(3,4-difluorophenyl)-N-(1,3-thiazol-4-ylmethyl)morpholine-4-carboxamide

C15H15F2N3O2S — CID 95179186

IUPAC(2R)-2-(3,4-difluorophenyl)-N-(1,3-thiazol-4-ylmethyl)morpholine-4-carboxamide
SMILESO=C(NCc1cscn1)N1CCO[C@H](c2ccc(F)c(F)c2)C1
InChIInChI=1S/C15H15F2N3O2S/c16-12-2-1-10(5-13(12)17)14-7-20(3-4-22-14)15(21)18-6-11-8-23-9-19-11/h1-2,5,8-9,14H,3-4,6-7H2,(H,18,21)/t14-/m0/s1
InChIKeyZVFPNZOOVOTMJD-AWEZNQCLSA-N
MW339.37 g/mol
LogP2.70
Rot. Bonds3

About (2R)-2-(3,4-difluorophenyl)-N-(1,3-thiazol-4-ylmethyl)morpholine-4-carboxamide

(2R)-2-(3,4-difluorophenyl)-N-(1,3-thiazol-4-ylmethyl)morpholine-4-carboxamide (PubChem CID 95179186) has the molecular formula C15H15F2N3O2S and a molecular weight of 339.37 g/mol. Its IUPAC name is (2R)-2-(3,4-difluorophenyl)-N-(1,3-thiazol-4-ylmethyl)morpholine-4-carboxamide.

Molecular Properties

Compound Name(2R)-2-(3,4-difluorophenyl)-N-(1,3-thiazol-4-ylmethyl)morpholine-4-carboxamide
PubChem CID95179186
Molecular FormulaC15H15F2N3O2S
Molecular Weight339.37 g/mol
Exact Mass339.09
IUPAC Name(2R)-2-(3,4-difluorophenyl)-N-(1,3-thiazol-4-ylmethyl)morpholine-4-carboxamide
SMILESO=C(NCc1cscn1)N1CCO[C@H](c2ccc(F)c(F)c2)C1
InChIInChI=1S/C15H15F2N3O2S/c16-12-2-1-10(5-13(12)17)14-7-20(3-4-22-14)15(21)18-6-11-8-23-9-19-11/h1-2,5,8-9,14H,3-4,6-7H2,(H,18,21)/t14-/m0/s1
InChIKeyZVFPNZOOVOTMJD-AWEZNQCLSA-N
XLogP2.70
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,4-difluorophenyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]morpholine-4-carboxamide
CID 126774661
(2S)-2-(3,4-difluorophenyl)-N-[(1-methylimidazol-2-yl)methyl]morpholine-4-carboxamide
CID 99773840
(2S)-2-(3,4-difluorophenyl)-N-[(4-methoxyphenyl)methyl]morpholine-4-carboxamide
CID 95178272
2-amino-1-[2-(3,4-difluorophenyl)morpholin-4-yl]ethanone;hydrochloride
CID 119315578
(2S)-2-(3,4-difluorophenyl)-N-[(1R,2R)-2-methylcyclopropyl]morpholine-4-carboxamide
CID 129425263
(2R)-2-(3,4-difluorophenyl)-N-[3-[[(2S)-oxolan-2-yl]methoxy]propyl]morpholine-4-carboxamide
CID 95187138
4-[2-(1,3-thiazol-4-yl)ethylcarbamoyl]morpholine-2-carboxylic acid
CID 63824344
(2S)-2-(4-fluoro-3-methylphenyl)-N-[(1-methylpyrrol-3-yl)methyl]morpholine-4-carboxamide
CID 97249747
(2R)-2-(3-chloro-4-fluorophenyl)-N-(pyridin-3-ylmethyl)morpholine-4-carboxamide
CID 129369434
2-(3-chloro-4-fluorophenyl)-N-(pyridin-3-ylmethyl)morpholine-4-carboxamide
CID 119041502
3-[2-(3,4-difluorophenyl)morpholin-4-yl]-2-methyl-3-oxopropanoic acid
CID 122065502
(3-amino-2-bicyclo[2.2.1]heptanyl)-[2-(3,4-difluorophenyl)morpholin-4-yl]methanone
CID 119769794

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3,4-difluorophenyl)-N-(1,3-thiazol-4-ylmethyl)morpholine-4-carboxamide?
The IUPAC name of (2R)-2-(3,4-difluorophenyl)-N-(1,3-thiazol-4-ylmethyl)morpholine-4-carboxamide (CID 95179186) is (2R)-2-(3,4-difluorophenyl)-N-(1,3-thiazol-4-ylmethyl)morpholine-4-carboxamide.
What is the SMILES notation for (2R)-2-(3,4-difluorophenyl)-N-(1,3-thiazol-4-ylmethyl)morpholine-4-carboxamide?
The canonical SMILES for (2R)-2-(3,4-difluorophenyl)-N-(1,3-thiazol-4-ylmethyl)morpholine-4-carboxamide is O=C(NCc1cscn1)N1CCO[C@H](c2ccc(F)c(F)c2)C1.
What is the InChIKey of (2R)-2-(3,4-difluorophenyl)-N-(1,3-thiazol-4-ylmethyl)morpholine-4-carboxamide?
The InChIKey is ZVFPNZOOVOTMJD-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H15F2N3O2S/c16-12-2-1-10(5-13(12)17)14-7-20(3-4-22-14)15(21)18-6-11-8-23-9-19-11/h1-2,5,8-9,14H,3-4,6-7H2,(H,18,21)/t14-/m0/s1.
What are the key properties of (2R)-2-(3,4-difluorophenyl)-N-(1,3-thiazol-4-ylmethyl)morpholine-4-carboxamide?
(2R)-2-(3,4-difluorophenyl)-N-(1,3-thiazol-4-ylmethyl)morpholine-4-carboxamide has a molecular weight of 339.37 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3,4-difluorophenyl)-N-(1,3-thiazol-4-ylmethyl)morpholine-4-carboxamide is sourced from PubChem (CID 95179186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).