2-[(2S)-4-benzylmorpholin-2-yl]-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]acetamide

C20H27N3O2S — CID 124588180

IUPAC2-[(2S)-4-benzylmorpholin-2-yl]-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]acetamide
SMILESCc1nc(CCNC(=O)C[C@H]2CN(Cc3ccccc3)CCO2)sc1C
InChIInChI=1S/C20H27N3O2S/c1-15-16(2)26-20(22-15)8-9-21-19(24)12-18-14-23(10-11-25-18)13-17-6-4-3-5-7-17/h3-7,18H,8-14H2,1-2H3,(H,21,24)/t18-/m0/s1
InChIKeyYTIROMDMWHGQCE-SFHVURJKSA-N
MW373.52 g/mol
LogP2.71
Rot. Bonds7

About 2-[(2S)-4-benzylmorpholin-2-yl]-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]acetamide

2-[(2S)-4-benzylmorpholin-2-yl]-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]acetamide (PubChem CID 124588180) has the molecular formula C20H27N3O2S and a molecular weight of 373.52 g/mol. Its IUPAC name is 2-[(2S)-4-benzylmorpholin-2-yl]-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[(2S)-4-benzylmorpholin-2-yl]-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]acetamide
PubChem CID124588180
Molecular FormulaC20H27N3O2S
Molecular Weight373.52 g/mol
Exact Mass373.18
IUPAC Name2-[(2S)-4-benzylmorpholin-2-yl]-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]acetamide
SMILESCc1nc(CCNC(=O)C[C@H]2CN(Cc3ccccc3)CCO2)sc1C
InChIInChI=1S/C20H27N3O2S/c1-15-16(2)26-20(22-15)8-9-21-19(24)12-18-14-23(10-11-25-18)13-17-6-4-3-5-7-17/h3-7,18H,8-14H2,1-2H3,(H,21,24)/t18-/m0/s1
InChIKeyYTIROMDMWHGQCE-SFHVURJKSA-N
XLogP2.71
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.52
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(2S)-4-benzylmorpholin-2-yl]-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]acetamide with MolForge

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Related Compounds

2-[(2S)-4-benzylmorpholin-2-yl]-N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]acetamide
CID 124844827
N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-2-(4-benzylmorpholin-2-yl)acetamide
CID 91784573
N-(2-aminoethyl)-2-(4-benzylmorpholin-2-yl)acetamide
CID 119383303
2-(4-benzylmorpholin-2-yl)-N-(3-hydroxybutyl)acetamide
CID 111539052
2-(4-benzylmorpholin-2-yl)-N-[2-(cycloheptylamino)ethyl]acetamide
CID 119620021
2-(4-benzylmorpholin-2-yl)-N-[(6-methyl-3-pyridinyl)methyl]acetamide
CID 71991420
(4-benzylmorpholin-2-yl)methylcarbamic acid
CID 21104645
4-[[[2-[(2R)-4-benzylmorpholin-2-yl]acetyl]amino]methyl]benzoic acid
CID 124703826
N-(3-amino-2-methylpropyl)-2-(4-benzylmorpholin-2-yl)acetamide
CID 119995447
2-(4-benzylmorpholin-2-yl)-N-(4-hydroxy-2-methylpentyl)acetamide
CID 111540025
(2S)-4-benzyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]morpholine-2-carboxamide
CID 97008441
2-[(2R)-4-benzylmorpholin-2-yl]-N-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]acetamide
CID 96542097

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-4-benzylmorpholin-2-yl]-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]acetamide?
The IUPAC name of 2-[(2S)-4-benzylmorpholin-2-yl]-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]acetamide (CID 124588180) is 2-[(2S)-4-benzylmorpholin-2-yl]-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]acetamide.
What is the SMILES notation for 2-[(2S)-4-benzylmorpholin-2-yl]-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]acetamide?
The canonical SMILES for 2-[(2S)-4-benzylmorpholin-2-yl]-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]acetamide is Cc1nc(CCNC(=O)C[C@H]2CN(Cc3ccccc3)CCO2)sc1C.
What is the InChIKey of 2-[(2S)-4-benzylmorpholin-2-yl]-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]acetamide?
The InChIKey is YTIROMDMWHGQCE-SFHVURJKSA-N. The full InChI is InChI=1S/C20H27N3O2S/c1-15-16(2)26-20(22-15)8-9-21-19(24)12-18-14-23(10-11-25-18)13-17-6-4-3-5-7-17/h3-7,18H,8-14H2,1-2H3,(H,21,24)/t18-/m0/s1.
What are the key properties of 2-[(2S)-4-benzylmorpholin-2-yl]-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]acetamide?
2-[(2S)-4-benzylmorpholin-2-yl]-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]acetamide has a molecular weight of 373.52 g/mol, XLogP of 2.71, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-4-benzylmorpholin-2-yl]-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]acetamide is sourced from PubChem (CID 124588180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).