(2R)-2-(4-fluorophenyl)-N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]morpholine-4-carboxamide

C19H24FN3O2S — CID 125443625

IUPAC(2R)-2-(4-fluorophenyl)-N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]morpholine-4-carboxamide
SMILESCCCc1nc(C)c(CNC(=O)N2CCO[C@H](c3ccc(F)cc3)C2)s1
InChIInChI=1S/C19H24FN3O2S/c1-3-4-18-22-13(2)17(26-18)11-21-19(24)23-9-10-25-16(12-23)14-5-7-15(20)8-6-14/h5-8,16H,3-4,9-12H2,1-2H3,(H,21,24)/t16-/m0/s1
InChIKeyJDMWRAARRRVRCA-INIZCTEOSA-N
MW377.49 g/mol
LogP3.83
Rot. Bonds5

About (2R)-2-(4-fluorophenyl)-N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]morpholine-4-carboxamide

(2R)-2-(4-fluorophenyl)-N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]morpholine-4-carboxamide (PubChem CID 125443625) has the molecular formula C19H24FN3O2S and a molecular weight of 377.49 g/mol. Its IUPAC name is (2R)-2-(4-fluorophenyl)-N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]morpholine-4-carboxamide.

Molecular Properties

Compound Name(2R)-2-(4-fluorophenyl)-N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]morpholine-4-carboxamide
PubChem CID125443625
Molecular FormulaC19H24FN3O2S
Molecular Weight377.49 g/mol
Exact Mass377.16
IUPAC Name(2R)-2-(4-fluorophenyl)-N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]morpholine-4-carboxamide
SMILESCCCc1nc(C)c(CNC(=O)N2CCO[C@H](c3ccc(F)cc3)C2)s1
InChIInChI=1S/C19H24FN3O2S/c1-3-4-18-22-13(2)17(26-18)11-21-19(24)23-9-10-25-16(12-23)14-5-7-15(20)8-6-14/h5-8,16H,3-4,9-12H2,1-2H3,(H,21,24)/t16-/m0/s1
InChIKeyJDMWRAARRRVRCA-INIZCTEOSA-N
XLogP3.83
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(diethylamino)-3-oxopropyl]-2-(4-fluorophenyl)morpholine-4-carboxamide
CID 55934228
2-amino-1-[2-(4-fluorophenyl)morpholin-4-yl]-2-methylbutan-1-one
CID 79806023
2-[2-(4-fluorophenyl)morpholin-4-yl]-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
CID 91829347
methyl (2S)-2-(4-fluorophenyl)morpholine-4-carboxylate
CID 67353366
3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-1-[2-(4-fluorophenyl)morpholin-4-yl]propan-1-one
CID 134044274
3-[2-(4-fluorophenyl)morpholin-4-yl]-3-oxopropanoic acid
CID 62231452
[2-(4-methylphenyl)morpholin-4-yl]-(4-propylthiadiazol-5-yl)methanone
CID 121134787
2-(4-chlorophenyl)-N-propylmorpholine-4-carboxamide
CID 47326521
N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]oxolane-2-carboxamide
CID 91795525
1-[2-(4-fluorophenyl)morpholin-4-yl]but-2-en-1-one
CID 112727083
2-chloro-1-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]ethanone
CID 51889846
2-(4-fluorophenyl)-N-[2-(2-methoxyphenoxy)ethyl]morpholine-4-carboxamide
CID 55770291

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-fluorophenyl)-N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]morpholine-4-carboxamide?
The IUPAC name of (2R)-2-(4-fluorophenyl)-N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]morpholine-4-carboxamide (CID 125443625) is (2R)-2-(4-fluorophenyl)-N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]morpholine-4-carboxamide.
What is the SMILES notation for (2R)-2-(4-fluorophenyl)-N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]morpholine-4-carboxamide?
The canonical SMILES for (2R)-2-(4-fluorophenyl)-N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]morpholine-4-carboxamide is CCCc1nc(C)c(CNC(=O)N2CCO[C@H](c3ccc(F)cc3)C2)s1.
What is the InChIKey of (2R)-2-(4-fluorophenyl)-N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]morpholine-4-carboxamide?
The InChIKey is JDMWRAARRRVRCA-INIZCTEOSA-N. The full InChI is InChI=1S/C19H24FN3O2S/c1-3-4-18-22-13(2)17(26-18)11-21-19(24)23-9-10-25-16(12-23)14-5-7-15(20)8-6-14/h5-8,16H,3-4,9-12H2,1-2H3,(H,21,24)/t16-/m0/s1.
What are the key properties of (2R)-2-(4-fluorophenyl)-N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]morpholine-4-carboxamide?
(2R)-2-(4-fluorophenyl)-N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]morpholine-4-carboxamide has a molecular weight of 377.49 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-fluorophenyl)-N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]morpholine-4-carboxamide is sourced from PubChem (CID 125443625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).