(2S)-4-benzyl-N-[3-(1,3-thiazol-2-yl)propyl]morpholine-2-carboxamide

C18H23N3O2S — CID 97215996

IUPAC(2S)-4-benzyl-N-[3-(1,3-thiazol-2-yl)propyl]morpholine-2-carboxamide
SMILESO=C(NCCCc1nccs1)[C@@H]1CN(Cc2ccccc2)CCO1
InChIInChI=1S/C18H23N3O2S/c22-18(20-8-4-7-17-19-9-12-24-17)16-14-21(10-11-23-16)13-15-5-2-1-3-6-15/h1-3,5-6,9,12,16H,4,7-8,10-11,13-14H2,(H,20,22)/t16-/m0/s1
InChIKeyGACHTXJVRAWMIV-INIZCTEOSA-N
MW345.47 g/mol
LogP2.09
Rot. Bonds7

About (2S)-4-benzyl-N-[3-(1,3-thiazol-2-yl)propyl]morpholine-2-carboxamide

(2S)-4-benzyl-N-[3-(1,3-thiazol-2-yl)propyl]morpholine-2-carboxamide (PubChem CID 97215996) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is (2S)-4-benzyl-N-[3-(1,3-thiazol-2-yl)propyl]morpholine-2-carboxamide.

Molecular Properties

Compound Name(2S)-4-benzyl-N-[3-(1,3-thiazol-2-yl)propyl]morpholine-2-carboxamide
PubChem CID97215996
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC Name(2S)-4-benzyl-N-[3-(1,3-thiazol-2-yl)propyl]morpholine-2-carboxamide
SMILESO=C(NCCCc1nccs1)[C@@H]1CN(Cc2ccccc2)CCO1
InChIInChI=1S/C18H23N3O2S/c22-18(20-8-4-7-17-19-9-12-24-17)16-14-21(10-11-23-16)13-15-5-2-1-3-6-15/h1-3,5-6,9,12,16H,4,7-8,10-11,13-14H2,(H,20,22)/t16-/m0/s1
InChIKeyGACHTXJVRAWMIV-INIZCTEOSA-N
XLogP2.09
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2S)-4-benzyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]morpholine-2-carboxamide
CID 97008441
(2S)-4-benzyl-N-(2-methoxyethyl)morpholine-2-carboxamide
CID 95636050
4-[[[(2S)-4-benzylmorpholine-2-carbonyl]amino]methyl]benzoic acid
CID 124703916
(2S)-4-benzyl-N-[2-(4-cyanopyrazol-1-yl)ethyl]morpholine-2-carboxamide
CID 95775919
[(2S)-4-benzylmorpholin-2-yl]-phenylmethanone;(4-benzylmorpholin-2-yl)-phenylmethanone
CID 158902777
(2S)-4-[(2-thiophen-2-ylpyrimidin-5-yl)methyl]morpholine-2-carboxylic acid
CID 95894538
(2S)-4-benzyl-N-[(3S)-oxan-3-yl]morpholine-2-carboxamide
CID 99846749
(2S)-4-benzyl-N-[(3-ethyl-1H-pyrazol-5-yl)methyl]morpholine-2-carboxamide
CID 95775991
4-benzyl-N-[(1R,2R)-2-hydroxycyclohexyl]morpholine-2-carboxamide
CID 58504652
(2S)-2-[(4-benzylmorpholine-2-carbonyl)amino]hexanoic acid
CID 120615247
1-(4-benzylmorpholine-2-carbonyl)-N-methylpyrrolidine-2-carboxamide
CID 136527577
(2S)-N-ethyl-4-[(3-phenoxyphenyl)methyl]morpholine-2-carboxamide
CID 125486482

Frequently Asked Questions

What is the IUPAC name of (2S)-4-benzyl-N-[3-(1,3-thiazol-2-yl)propyl]morpholine-2-carboxamide?
The IUPAC name of (2S)-4-benzyl-N-[3-(1,3-thiazol-2-yl)propyl]morpholine-2-carboxamide (CID 97215996) is (2S)-4-benzyl-N-[3-(1,3-thiazol-2-yl)propyl]morpholine-2-carboxamide.
What is the SMILES notation for (2S)-4-benzyl-N-[3-(1,3-thiazol-2-yl)propyl]morpholine-2-carboxamide?
The canonical SMILES for (2S)-4-benzyl-N-[3-(1,3-thiazol-2-yl)propyl]morpholine-2-carboxamide is O=C(NCCCc1nccs1)[C@@H]1CN(Cc2ccccc2)CCO1.
What is the InChIKey of (2S)-4-benzyl-N-[3-(1,3-thiazol-2-yl)propyl]morpholine-2-carboxamide?
The InChIKey is GACHTXJVRAWMIV-INIZCTEOSA-N. The full InChI is InChI=1S/C18H23N3O2S/c22-18(20-8-4-7-17-19-9-12-24-17)16-14-21(10-11-23-16)13-15-5-2-1-3-6-15/h1-3,5-6,9,12,16H,4,7-8,10-11,13-14H2,(H,20,22)/t16-/m0/s1.
What are the key properties of (2S)-4-benzyl-N-[3-(1,3-thiazol-2-yl)propyl]morpholine-2-carboxamide?
(2S)-4-benzyl-N-[3-(1,3-thiazol-2-yl)propyl]morpholine-2-carboxamide has a molecular weight of 345.47 g/mol, XLogP of 2.09, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-benzyl-N-[3-(1,3-thiazol-2-yl)propyl]morpholine-2-carboxamide is sourced from PubChem (CID 97215996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).