(2S)-2-benzyl-N-[(1R)-1-(5-methyl-1,3-thiazol-2-yl)ethyl]morpholine-4-carboxamide

C18H23N3O2S — CID 99819549

IUPAC(2S)-2-benzyl-N-[(1R)-1-(5-methyl-1,3-thiazol-2-yl)ethyl]morpholine-4-carboxamide
SMILESCc1cnc([C@@H](C)NC(=O)N2CCO[C@@H](Cc3ccccc3)C2)s1
InChIInChI=1S/C18H23N3O2S/c1-13-11-19-17(24-13)14(2)20-18(22)21-8-9-23-16(12-21)10-15-6-4-3-5-7-15/h3-7,11,14,16H,8-10,12H2,1-2H3,(H,20,22)/t14-,16+/m1/s1
InChIKeyFFTHSHNQTLFPBD-ZBFHGGJFSA-N
MW345.47 g/mol
LogP3.17
Rot. Bonds4

About (2S)-2-benzyl-N-[(1R)-1-(5-methyl-1,3-thiazol-2-yl)ethyl]morpholine-4-carboxamide

(2S)-2-benzyl-N-[(1R)-1-(5-methyl-1,3-thiazol-2-yl)ethyl]morpholine-4-carboxamide (PubChem CID 99819549) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is (2S)-2-benzyl-N-[(1R)-1-(5-methyl-1,3-thiazol-2-yl)ethyl]morpholine-4-carboxamide.

Molecular Properties

Compound Name(2S)-2-benzyl-N-[(1R)-1-(5-methyl-1,3-thiazol-2-yl)ethyl]morpholine-4-carboxamide
PubChem CID99819549
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC Name(2S)-2-benzyl-N-[(1R)-1-(5-methyl-1,3-thiazol-2-yl)ethyl]morpholine-4-carboxamide
SMILESCc1cnc([C@@H](C)NC(=O)N2CCO[C@@H](Cc3ccccc3)C2)s1
InChIInChI=1S/C18H23N3O2S/c1-13-11-19-17(24-13)14(2)20-18(22)21-8-9-23-16(12-21)10-15-6-4-3-5-7-15/h3-7,11,14,16H,8-10,12H2,1-2H3,(H,20,22)/t14-,16+/m1/s1
InChIKeyFFTHSHNQTLFPBD-ZBFHGGJFSA-N
XLogP3.17
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-2-benzyl-N-[(1R)-1-(5-methyl-1,3-thiazol-2-yl)ethyl]morpholine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-benzyl-N-(1-cyclopropylethyl)morpholine-4-carboxamide
CID 75445413
(2R)-2-benzyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)morpholine-4-carboxamide
CID 97336828
(2R)-2-benzyl-N-[(1S)-1-pyridin-4-ylpropyl]morpholine-4-carboxamide
CID 97337265
(2S)-2-benzyl-N-[(2S)-1-(1,2,4-triazol-1-yl)propan-2-yl]morpholine-4-carboxamide
CID 97336914
2-benzyl-N,N-diethylmorpholine-4-carboxamide
CID 110643919
3-hydroxy-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]piperidine-1-carboxamide
CID 111841012
(2R)-2-benzyl-N-[(1-methylimidazol-2-yl)methyl]morpholine-4-carboxamide
CID 97336922
[(2R)-2-benzylmorpholin-4-yl]-(2-propan-2-yl-1,3-thiazol-4-yl)methanone
CID 42392462
(2R)-2-ethyl-2-methyl-N-[(1S)-1-(5-methyl-1,3-thiazol-2-yl)ethyl]morpholine-4-carboxamide
CID 99789877
[(2S)-2-benzylmorpholin-4-yl]-(2-methyl-3-pyridinyl)methanone
CID 42515870
(2S)-2-benzyl-N-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]morpholine-4-carboxamide
CID 97336903
2-benzyl-N-(2-methyl-3-pyrazol-1-ylpropyl)morpholine-4-carboxamide
CID 75445416

Frequently Asked Questions

What is the IUPAC name of (2S)-2-benzyl-N-[(1R)-1-(5-methyl-1,3-thiazol-2-yl)ethyl]morpholine-4-carboxamide?
The IUPAC name of (2S)-2-benzyl-N-[(1R)-1-(5-methyl-1,3-thiazol-2-yl)ethyl]morpholine-4-carboxamide (CID 99819549) is (2S)-2-benzyl-N-[(1R)-1-(5-methyl-1,3-thiazol-2-yl)ethyl]morpholine-4-carboxamide.
What is the SMILES notation for (2S)-2-benzyl-N-[(1R)-1-(5-methyl-1,3-thiazol-2-yl)ethyl]morpholine-4-carboxamide?
The canonical SMILES for (2S)-2-benzyl-N-[(1R)-1-(5-methyl-1,3-thiazol-2-yl)ethyl]morpholine-4-carboxamide is Cc1cnc([C@@H](C)NC(=O)N2CCO[C@@H](Cc3ccccc3)C2)s1.
What is the InChIKey of (2S)-2-benzyl-N-[(1R)-1-(5-methyl-1,3-thiazol-2-yl)ethyl]morpholine-4-carboxamide?
The InChIKey is FFTHSHNQTLFPBD-ZBFHGGJFSA-N. The full InChI is InChI=1S/C18H23N3O2S/c1-13-11-19-17(24-13)14(2)20-18(22)21-8-9-23-16(12-21)10-15-6-4-3-5-7-15/h3-7,11,14,16H,8-10,12H2,1-2H3,(H,20,22)/t14-,16+/m1/s1.
What are the key properties of (2S)-2-benzyl-N-[(1R)-1-(5-methyl-1,3-thiazol-2-yl)ethyl]morpholine-4-carboxamide?
(2S)-2-benzyl-N-[(1R)-1-(5-methyl-1,3-thiazol-2-yl)ethyl]morpholine-4-carboxamide has a molecular weight of 345.47 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-benzyl-N-[(1R)-1-(5-methyl-1,3-thiazol-2-yl)ethyl]morpholine-4-carboxamide is sourced from PubChem (CID 99819549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).