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

C18H23N3O2S — CID 97008441

IUPAC(2S)-4-benzyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]morpholine-2-carboxamide
SMILESCc1csc(CCNC(=O)[C@@H]2CN(Cc3ccccc3)CCO2)n1
InChIInChI=1S/C18H23N3O2S/c1-14-13-24-17(20-14)7-8-19-18(22)16-12-21(9-10-23-16)11-15-5-3-2-4-6-15/h2-6,13,16H,7-12H2,1H3,(H,19,22)/t16-/m0/s1
InChIKeyCYEKMMVBHVMEMM-INIZCTEOSA-N
MW345.47 g/mol
LogP2.01
Rot. Bonds6

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

(2S)-4-benzyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]morpholine-2-carboxamide (PubChem CID 97008441) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is (2S)-4-benzyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]morpholine-2-carboxamide.

Molecular Properties

Compound Name(2S)-4-benzyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]morpholine-2-carboxamide
PubChem CID97008441
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC Name(2S)-4-benzyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]morpholine-2-carboxamide
SMILESCc1csc(CCNC(=O)[C@@H]2CN(Cc3ccccc3)CCO2)n1
InChIInChI=1S/C18H23N3O2S/c1-14-13-24-17(20-14)7-8-19-18(22)16-12-21(9-10-23-16)11-15-5-3-2-4-6-15/h2-6,13,16H,7-12H2,1H3,(H,19,22)/t16-/m0/s1
InChIKeyCYEKMMVBHVMEMM-INIZCTEOSA-N
XLogP2.01
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-4-benzyl-N-[3-(1,3-thiazol-2-yl)propyl]morpholine-2-carboxamide
CID 97215996
(2S)-4-benzyl-N-(2-methoxyethyl)morpholine-2-carboxamide
CID 95636050
(2S)-4-methyl-N-[[2-(2-phenylethyl)-1,3-thiazol-4-yl]methyl]morpholine-2-carboxamide
CID 96784696
4-[[[(2S)-4-benzylmorpholine-2-carbonyl]amino]methyl]benzoic acid
CID 124703916
2-[(2S)-4-benzylmorpholin-2-yl]-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]acetamide
CID 124588180
(2S)-4-benzyl-N-[2-(4-cyanopyrazol-1-yl)ethyl]morpholine-2-carboxamide
CID 95775919
N-methyl-4-[(2-phenyl-1,3-thiazol-4-yl)methyl]morpholine-2-carboxamide
CID 165435131
(2S)-4-benzyl-N-[(3-ethyl-1H-pyrazol-5-yl)methyl]morpholine-2-carboxamide
CID 95775991
2-(2-aminoethyl)-N-[(4-benzylmorpholin-2-yl)methyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 120639786
1-(4-benzylmorpholine-2-carbonyl)-N-methylpyrrolidine-2-carboxamide
CID 136527577
(2S)-N-ethyl-4-[(3-phenoxyphenyl)methyl]morpholine-2-carboxamide
CID 125486482
[(2S)-4-benzylmorpholin-2-yl]-phenylmethanone;(4-benzylmorpholin-2-yl)-phenylmethanone
CID 158902777

Frequently Asked Questions

What is the IUPAC name of (2S)-4-benzyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]morpholine-2-carboxamide?
The IUPAC name of (2S)-4-benzyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]morpholine-2-carboxamide (CID 97008441) is (2S)-4-benzyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]morpholine-2-carboxamide.
What is the SMILES notation for (2S)-4-benzyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]morpholine-2-carboxamide?
The canonical SMILES for (2S)-4-benzyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]morpholine-2-carboxamide is Cc1csc(CCNC(=O)[C@@H]2CN(Cc3ccccc3)CCO2)n1.
What is the InChIKey of (2S)-4-benzyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]morpholine-2-carboxamide?
The InChIKey is CYEKMMVBHVMEMM-INIZCTEOSA-N. The full InChI is InChI=1S/C18H23N3O2S/c1-14-13-24-17(20-14)7-8-19-18(22)16-12-21(9-10-23-16)11-15-5-3-2-4-6-15/h2-6,13,16H,7-12H2,1H3,(H,19,22)/t16-/m0/s1.
What are the key properties of (2S)-4-benzyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]morpholine-2-carboxamide?
(2S)-4-benzyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]morpholine-2-carboxamide has a molecular weight of 345.47 g/mol, XLogP of 2.01, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-benzyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]morpholine-2-carboxamide is sourced from PubChem (CID 97008441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).