(4S)-N-[[2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]-1,3-thiazolidine-4-carboxamide

C18H27N3O2S — CID 124694508

IUPAC(4S)-N-[[2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]-1,3-thiazolidine-4-carboxamide
SMILESC[C@@H]1CN(Cc2ccccc2CNC(=O)[C@H]2CSCN2)C[C@H](C)O1
InChIInChI=1S/C18H27N3O2S/c1-13-8-21(9-14(2)23-13)10-16-6-4-3-5-15(16)7-19-18(22)17-11-24-12-20-17/h3-6,13-14,17,20H,7-12H2,1-2H3,(H,19,22)/t13-,14+,17-/m1/s1
InChIKeySXOGEVWATXTVNL-JKIFEVAISA-N
MW349.50 g/mol
LogP1.57
Rot. Bonds5

About (4S)-N-[[2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]-1,3-thiazolidine-4-carboxamide

(4S)-N-[[2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]-1,3-thiazolidine-4-carboxamide (PubChem CID 124694508) has the molecular formula C18H27N3O2S and a molecular weight of 349.50 g/mol. Its IUPAC name is (4S)-N-[[2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name(4S)-N-[[2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]-1,3-thiazolidine-4-carboxamide
PubChem CID124694508
Molecular FormulaC18H27N3O2S
Molecular Weight349.50 g/mol
Exact Mass349.18
IUPAC Name(4S)-N-[[2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]-1,3-thiazolidine-4-carboxamide
SMILESC[C@@H]1CN(Cc2ccccc2CNC(=O)[C@H]2CSCN2)C[C@H](C)O1
InChIInChI=1S/C18H27N3O2S/c1-13-8-21(9-14(2)23-13)10-16-6-4-3-5-15(16)7-19-18(22)17-11-24-12-20-17/h3-6,13-14,17,20H,7-12H2,1-2H3,(H,19,22)/t13-,14+,17-/m1/s1
InChIKeySXOGEVWATXTVNL-JKIFEVAISA-N
XLogP1.57
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.50
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (4S)-N-[[2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]-1,3-thiazolidine-4-carboxamide with MolForge

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Related Compounds

(4R)-N-[[2-[[(3S)-3-methylpiperidin-1-yl]methyl]phenyl]methyl]-1,3-thiazolidine-4-carboxamide
CID 124695969
(4R)-N-[(2-ethylphenyl)methyl]-1,3-thiazolidine-4-carboxamide
CID 141124535
2-amino-N-[[2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]-2-methylpropanamide
CID 124696235
1-amino-N-[[2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]cyclopropane-1-carboxamide
CID 124689810
N-[(2-methoxyphenyl)methyl]-1,3-thiazolidine-4-carboxamide
CID 24698551
trans-(1R,2R)-2-amino-N-[[2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]cyclopentane-1-carboxamide
CID 125146554
(1S)-N-[[2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]cyclohex-3-ene-1-carboxamide
CID 99845328
N-benzyl-1,3-thiazolidine-4-carboxamide
CID 24693076
trans-(1R,3R)-3-amino-N-[[2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]cyclohexane-1-carboxamide
CID 124689832
(2R)-N-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]piperidine-2-carboxamide;dihydrochloride
CID 119848773
N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-1,3-thiazolidine-4-carboxamide;dihydrochloride
CID 119839593
N-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-thiazolidine-4-carboxamide
CID 61254584

Frequently Asked Questions

What is the IUPAC name of (4S)-N-[[2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]-1,3-thiazolidine-4-carboxamide?
The IUPAC name of (4S)-N-[[2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]-1,3-thiazolidine-4-carboxamide (CID 124694508) is (4S)-N-[[2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for (4S)-N-[[2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for (4S)-N-[[2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]-1,3-thiazolidine-4-carboxamide is C[C@@H]1CN(Cc2ccccc2CNC(=O)[C@H]2CSCN2)C[C@H](C)O1.
What is the InChIKey of (4S)-N-[[2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]-1,3-thiazolidine-4-carboxamide?
The InChIKey is SXOGEVWATXTVNL-JKIFEVAISA-N. The full InChI is InChI=1S/C18H27N3O2S/c1-13-8-21(9-14(2)23-13)10-16-6-4-3-5-15(16)7-19-18(22)17-11-24-12-20-17/h3-6,13-14,17,20H,7-12H2,1-2H3,(H,19,22)/t13-,14+,17-/m1/s1.
What are the key properties of (4S)-N-[[2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]-1,3-thiazolidine-4-carboxamide?
(4S)-N-[[2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]-1,3-thiazolidine-4-carboxamide has a molecular weight of 349.50 g/mol, XLogP of 1.57, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-[[2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 124694508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).