2-[(2S)-4-benzylmorpholin-2-yl]-N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]acetamide

C21H27N3O2S — CID 124844827

IUPAC2-[(2S)-4-benzylmorpholin-2-yl]-N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]acetamide
SMILESO=C(C[C@H]1CN(Cc2ccccc2)CCO1)NCCc1nc2c(s1)CCC2
InChIInChI=1S/C21H27N3O2S/c25-20(22-10-9-21-23-18-7-4-8-19(18)27-21)13-17-15-24(11-12-26-17)14-16-5-2-1-3-6-16/h1-3,5-6,17H,4,7-15H2,(H,22,25)/t17-/m0/s1
InChIKeyGXMYKLIBFRGYNE-KRWDZBQOSA-N
MW385.53 g/mol
LogP2.58
Rot. Bonds7

About 2-[(2S)-4-benzylmorpholin-2-yl]-N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]acetamide

2-[(2S)-4-benzylmorpholin-2-yl]-N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]acetamide (PubChem CID 124844827) has the molecular formula C21H27N3O2S and a molecular weight of 385.53 g/mol. Its IUPAC name is 2-[(2S)-4-benzylmorpholin-2-yl]-N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[(2S)-4-benzylmorpholin-2-yl]-N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]acetamide
PubChem CID124844827
Molecular FormulaC21H27N3O2S
Molecular Weight385.53 g/mol
Exact Mass385.18
IUPAC Name2-[(2S)-4-benzylmorpholin-2-yl]-N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]acetamide
SMILESO=C(C[C@H]1CN(Cc2ccccc2)CCO1)NCCc1nc2c(s1)CCC2
InChIInChI=1S/C21H27N3O2S/c25-20(22-10-9-21-23-18-7-4-8-19(18)27-21)13-17-15-24(11-12-26-17)14-16-5-2-1-3-6-16/h1-3,5-6,17H,4,7-15H2,(H,22,25)/t17-/m0/s1
InChIKeyGXMYKLIBFRGYNE-KRWDZBQOSA-N
XLogP2.58
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.53
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2S)-4-benzylmorpholin-2-yl]-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]acetamide
CID 124588180
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-[2-(cycloheptylamino)ethyl]acetamide
CID 119620021
2-(4-benzylmorpholin-2-yl)-N-(3-hydroxybutyl)acetamide
CID 111539052
2-(4-benzylmorpholin-2-yl)-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)acetamide
CID 118769797
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
1-benzyl-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 56522219
2-(4-benzylmorpholin-2-yl)-N-[(6-methyl-3-pyridinyl)methyl]acetamide
CID 71991420
(2R)-2-[[2-[(2S)-4-benzylmorpholin-2-yl]acetyl]amino]-3-methylbutanoic acid
CID 124681649
2-(4-benzylmorpholin-2-yl)-N-(4-hydroxy-2-methylpentyl)acetamide
CID 111540025

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-4-benzylmorpholin-2-yl]-N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]acetamide?
The IUPAC name of 2-[(2S)-4-benzylmorpholin-2-yl]-N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]acetamide (CID 124844827) is 2-[(2S)-4-benzylmorpholin-2-yl]-N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]acetamide.
What is the SMILES notation for 2-[(2S)-4-benzylmorpholin-2-yl]-N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]acetamide?
The canonical SMILES for 2-[(2S)-4-benzylmorpholin-2-yl]-N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]acetamide is O=C(C[C@H]1CN(Cc2ccccc2)CCO1)NCCc1nc2c(s1)CCC2.
What is the InChIKey of 2-[(2S)-4-benzylmorpholin-2-yl]-N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]acetamide?
The InChIKey is GXMYKLIBFRGYNE-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H27N3O2S/c25-20(22-10-9-21-23-18-7-4-8-19(18)27-21)13-17-15-24(11-12-26-17)14-16-5-2-1-3-6-16/h1-3,5-6,17H,4,7-15H2,(H,22,25)/t17-/m0/s1.
What are the key properties of 2-[(2S)-4-benzylmorpholin-2-yl]-N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]acetamide?
2-[(2S)-4-benzylmorpholin-2-yl]-N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]acetamide has a molecular weight of 385.53 g/mol, XLogP of 2.58, 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-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]acetamide is sourced from PubChem (CID 124844827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).