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

C18H23N3O2S — CID 97353311

IUPAC(2S)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-(2-phenylethyl)morpholine-4-carboxamide
SMILESCc1ncsc1CNC(=O)N1CCO[C@@H](CCc2ccccc2)C1
InChIInChI=1S/C18H23N3O2S/c1-14-17(24-13-20-14)11-19-18(22)21-9-10-23-16(12-21)8-7-15-5-3-2-4-6-15/h2-6,13,16H,7-12H2,1H3,(H,19,22)/t16-/m0/s1
InChIKeyMIRAJJLPYOGNJI-INIZCTEOSA-N
MW345.47 g/mol
LogP2.99
Rot. Bonds5

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

(2S)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-(2-phenylethyl)morpholine-4-carboxamide (PubChem CID 97353311) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is (2S)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-(2-phenylethyl)morpholine-4-carboxamide.

Molecular Properties

Compound Name(2S)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-(2-phenylethyl)morpholine-4-carboxamide
PubChem CID97353311
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC Name(2S)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-(2-phenylethyl)morpholine-4-carboxamide
SMILESCc1ncsc1CNC(=O)N1CCO[C@@H](CCc2ccccc2)C1
InChIInChI=1S/C18H23N3O2S/c1-14-17(24-13-20-14)11-19-18(22)21-9-10-23-16(12-21)8-7-15-5-3-2-4-6-15/h2-6,13,16H,7-12H2,1H3,(H,19,22)/t16-/m0/s1
InChIKeyMIRAJJLPYOGNJI-INIZCTEOSA-N
XLogP2.99
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-(2-phenylethyl)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

3-(4-methyl-1,3-thiazol-5-yl)-1-[(2S)-2-(2-phenylethyl)morpholin-4-yl]propan-1-one
CID 25382249
N-[(2-methylpyrimidin-4-yl)methyl]-2-(2-phenylethyl)morpholine-4-carboxamide
CID 75477456
1-[(2S)-2-(2-phenylethyl)morpholin-4-yl]propan-1-one
CID 95968357
N-(oxan-4-yl)-2-(2-phenylethyl)morpholine-4-carboxamide
CID 126776750
N,N-dimethyl-2-(2-phenylethyl)morpholine-4-carboxamide
CID 75521628
N'-methyl-2-(2-methylphenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]morpholine-4-carboximidamide
CID 109481243
4-oxo-4-[2-(2-phenylethyl)morpholin-4-yl]butanoic acid
CID 120550207
(2-methylfuran-3-yl)-[2-(2-phenylethyl)morpholin-4-yl]methanone
CID 75504750
3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[2-(2-phenylethyl)morpholin-4-yl]propan-1-one
CID 86790075
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-(2-phenylethyl)morpholine-4-carboxamide
CID 139002732
1-[4-[2-(2-phenylethyl)morpholine-4-carbonyl]piperidin-1-yl]ethanone
CID 110740943
[(2S)-2-(2-phenylethyl)morpholin-4-yl]-pyrazin-2-ylmethanone
CID 95969181

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-(2-phenylethyl)morpholine-4-carboxamide?
The IUPAC name of (2S)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-(2-phenylethyl)morpholine-4-carboxamide (CID 97353311) is (2S)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-(2-phenylethyl)morpholine-4-carboxamide.
What is the SMILES notation for (2S)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-(2-phenylethyl)morpholine-4-carboxamide?
The canonical SMILES for (2S)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-(2-phenylethyl)morpholine-4-carboxamide is Cc1ncsc1CNC(=O)N1CCO[C@@H](CCc2ccccc2)C1.
What is the InChIKey of (2S)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-(2-phenylethyl)morpholine-4-carboxamide?
The InChIKey is MIRAJJLPYOGNJI-INIZCTEOSA-N. The full InChI is InChI=1S/C18H23N3O2S/c1-14-17(24-13-20-14)11-19-18(22)21-9-10-23-16(12-21)8-7-15-5-3-2-4-6-15/h2-6,13,16H,7-12H2,1H3,(H,19,22)/t16-/m0/s1.
What are the key properties of (2S)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-(2-phenylethyl)morpholine-4-carboxamide?
(2S)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-(2-phenylethyl)morpholine-4-carboxamide has a molecular weight of 345.47 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-(2-phenylethyl)morpholine-4-carboxamide is sourced from PubChem (CID 97353311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).