N-[[6-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]methyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide

C18H26N4O3S — CID 51947252

IUPACN-[[6-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]methyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
SMILESC[C@H]1CN(c2ccc(CNC(=O)CCN3CCSC3=O)cn2)C[C@H](C)O1
InChIInChI=1S/C18H26N4O3S/c1-13-11-22(12-14(2)25-13)16-4-3-15(9-19-16)10-20-17(23)5-6-21-7-8-26-18(21)24/h3-4,9,13-14H,5-8,10-12H2,1-2H3,(H,20,23)/t13-,14-/m0/s1
InChIKeyLOQFDYYWSFSHQO-KBPBESRZSA-N
MW378.50 g/mol
LogP1.87
Rot. Bonds6

About N-[[6-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]methyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide

N-[[6-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]methyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide (PubChem CID 51947252) has the molecular formula C18H26N4O3S and a molecular weight of 378.50 g/mol. Its IUPAC name is N-[[6-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]methyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide.

Molecular Properties

Compound NameN-[[6-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]methyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
PubChem CID51947252
Molecular FormulaC18H26N4O3S
Molecular Weight378.50 g/mol
Exact Mass378.17
IUPAC NameN-[[6-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]methyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
SMILESC[C@H]1CN(c2ccc(CNC(=O)CCN3CCSC3=O)cn2)C[C@H](C)O1
InChIInChI=1S/C18H26N4O3S/c1-13-11-22(12-14(2)25-13)16-4-3-15(9-19-16)10-20-17(23)5-6-21-7-8-26-18(21)24/h3-4,9,13-14H,5-8,10-12H2,1-2H3,(H,20,23)/t13-,14-/m0/s1
InChIKeyLOQFDYYWSFSHQO-KBPBESRZSA-N
XLogP1.87
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.50
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-3-phenylpropanamide
CID 55710399
2-(cyclopropylmethylamino)-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]acetamide
CID 119846444
N-[[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]methyl]-3-[(2R)-oxolan-2-yl]propanamide
CID 100851233
N-[[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]methyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide
CID 51947278
N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-2-(9-oxoacridin-10-yl)acetamide
CID 46476743
N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-N',3,5-trimethylpiperidine-1-carboximidamide;hydroiodide
CID 111153167
3-(2,3-dimethoxyphenyl)-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]propanamide
CID 55710397
4-tert-butyl-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]benzamide
CID 55710371
N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-3-[5-(4-methoxyphenyl)furan-2-yl]propanamide
CID 46466736
1-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-N-methylmethanamine
CID 104959494
1-[[6-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]methyl]-3-[(2R)-1-hydroxypropan-2-yl]urea
CID 100853715
3-acetamido-3-(4-chlorophenyl)-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]propanamide
CID 55709961

Frequently Asked Questions

What is the IUPAC name of N-[[6-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]methyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide?
The IUPAC name of N-[[6-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]methyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide (CID 51947252) is N-[[6-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]methyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide.
What is the SMILES notation for N-[[6-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]methyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide?
The canonical SMILES for N-[[6-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]methyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide is C[C@H]1CN(c2ccc(CNC(=O)CCN3CCSC3=O)cn2)C[C@H](C)O1.
What is the InChIKey of N-[[6-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]methyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide?
The InChIKey is LOQFDYYWSFSHQO-KBPBESRZSA-N. The full InChI is InChI=1S/C18H26N4O3S/c1-13-11-22(12-14(2)25-13)16-4-3-15(9-19-16)10-20-17(23)5-6-21-7-8-26-18(21)24/h3-4,9,13-14H,5-8,10-12H2,1-2H3,(H,20,23)/t13-,14-/m0/s1.
What are the key properties of N-[[6-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]methyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide?
N-[[6-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]methyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide has a molecular weight of 378.50 g/mol, XLogP of 1.87, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]methyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide is sourced from PubChem (CID 51947252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).