2-benzyl-N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-1,3-thiazole-4-carboxamide

C19H25N3O4S2 — CID 51941759

IUPAC2-benzyl-N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-1,3-thiazole-4-carboxamide
SMILESC[C@@H]1CN(S(=O)(=O)CCNC(=O)c2csc(Cc3ccccc3)n2)C[C@H](C)O1
InChIInChI=1S/C19H25N3O4S2/c1-14-11-22(12-15(2)26-14)28(24,25)9-8-20-19(23)17-13-27-18(21-17)10-16-6-4-3-5-7-16/h3-7,13-15H,8-12H2,1-2H3,(H,20,23)/t14-,15+
InChIKeyNBPDDTFSIMSHSO-GASCZTMLSA-N
MW423.56 g/mol
LogP1.90
Rot. Bonds7

About 2-benzyl-N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-1,3-thiazole-4-carboxamide

2-benzyl-N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-1,3-thiazole-4-carboxamide (PubChem CID 51941759) has the molecular formula C19H25N3O4S2 and a molecular weight of 423.56 g/mol. Its IUPAC name is 2-benzyl-N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-benzyl-N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-1,3-thiazole-4-carboxamide
PubChem CID51941759
Molecular FormulaC19H25N3O4S2
Molecular Weight423.56 g/mol
Exact Mass423.13
IUPAC Name2-benzyl-N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-1,3-thiazole-4-carboxamide
SMILESC[C@@H]1CN(S(=O)(=O)CCNC(=O)c2csc(Cc3ccccc3)n2)C[C@H](C)O1
InChIInChI=1S/C19H25N3O4S2/c1-14-11-22(12-15(2)26-14)28(24,25)9-8-20-19(23)17-13-27-18(21-17)10-16-6-4-3-5-7-16/h3-7,13-15H,8-12H2,1-2H3,(H,20,23)/t14-,15+
InChIKeyNBPDDTFSIMSHSO-GASCZTMLSA-N
XLogP1.90
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.56
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-benzyl-N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-1,3-thiazole-4-carboxamide with MolForge

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Related Compounds

2-chloro-N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]benzamide
CID 51941813
2-benzyl-N-ethyl-1,3-thiazole-4-carboxamide
CID 38018562
N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide
CID 55713239
2-benzyl-N-(3-methoxypropyl)-1,3-thiazole-4-carboxamide
CID 110436454
N-(3-aminopropyl)-2-benzyl-1,3-thiazole-4-carboxamide
CID 110465250
2-(aminomethyl)-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119841026
N-(3-aminopropyl)-2-benzyl-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119405606
6-[(2-benzyl-1,3-thiazole-4-carbonyl)amino]hexanoic acid
CID 119220206
N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide
CID 55658002
N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-3-methylbenzamide
CID 42959769
2-benzyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-1,3-thiazole-4-carboxamide
CID 70713753
2-benzyl-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-1,3-thiazole-4-carboxamide
CID 70739356

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-benzyl-N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-1,3-thiazole-4-carboxamide (CID 51941759) is 2-benzyl-N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-benzyl-N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-benzyl-N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-1,3-thiazole-4-carboxamide is C[C@@H]1CN(S(=O)(=O)CCNC(=O)c2csc(Cc3ccccc3)n2)C[C@H](C)O1.
What is the InChIKey of 2-benzyl-N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-1,3-thiazole-4-carboxamide?
The InChIKey is NBPDDTFSIMSHSO-GASCZTMLSA-N. The full InChI is InChI=1S/C19H25N3O4S2/c1-14-11-22(12-15(2)26-14)28(24,25)9-8-20-19(23)17-13-27-18(21-17)10-16-6-4-3-5-7-16/h3-7,13-15H,8-12H2,1-2H3,(H,20,23)/t14-,15+.
What are the key properties of 2-benzyl-N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-1,3-thiazole-4-carboxamide?
2-benzyl-N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-1,3-thiazole-4-carboxamide has a molecular weight of 423.56 g/mol, XLogP of 1.90, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 51941759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).