N-[[(2S)-4-methylmorpholin-2-yl]methyl]-2-(2-oxopyrrolidin-1-yl)-N-(1,3-thiazol-2-yl)acetamide

C15H22N4O3S — CID 97062168

IUPACN-[[(2S)-4-methylmorpholin-2-yl]methyl]-2-(2-oxopyrrolidin-1-yl)-N-(1,3-thiazol-2-yl)acetamide
SMILESCN1CCO[C@H](CN(C(=O)CN2CCCC2=O)c2nccs2)C1
InChIInChI=1S/C15H22N4O3S/c1-17-6-7-22-12(9-17)10-19(15-16-4-8-23-15)14(21)11-18-5-2-3-13(18)20/h4,8,12H,2-3,5-7,9-11H2,1H3/t12-/m0/s1
InChIKeyVRXXSCOFEMTOSD-LBPRGKRZSA-N
MW338.43 g/mol
LogP0.43
Rot. Bonds5

About N-[[(2S)-4-methylmorpholin-2-yl]methyl]-2-(2-oxopyrrolidin-1-yl)-N-(1,3-thiazol-2-yl)acetamide

N-[[(2S)-4-methylmorpholin-2-yl]methyl]-2-(2-oxopyrrolidin-1-yl)-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 97062168) has the molecular formula C15H22N4O3S and a molecular weight of 338.43 g/mol. Its IUPAC name is N-[[(2S)-4-methylmorpholin-2-yl]methyl]-2-(2-oxopyrrolidin-1-yl)-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound NameN-[[(2S)-4-methylmorpholin-2-yl]methyl]-2-(2-oxopyrrolidin-1-yl)-N-(1,3-thiazol-2-yl)acetamide
PubChem CID97062168
Molecular FormulaC15H22N4O3S
Molecular Weight338.43 g/mol
Exact Mass338.14
IUPAC NameN-[[(2S)-4-methylmorpholin-2-yl]methyl]-2-(2-oxopyrrolidin-1-yl)-N-(1,3-thiazol-2-yl)acetamide
SMILESCN1CCO[C@H](CN(C(=O)CN2CCCC2=O)c2nccs2)C1
InChIInChI=1S/C15H22N4O3S/c1-17-6-7-22-12(9-17)10-19(15-16-4-8-23-15)14(21)11-18-5-2-3-13(18)20/h4,8,12H,2-3,5-7,9-11H2,1H3/t12-/m0/s1
InChIKeyVRXXSCOFEMTOSD-LBPRGKRZSA-N
XLogP0.43
TPSA65.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 50.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-cyclopentyl-N-[[(2S)-4-methylmorpholin-2-yl]methyl]-N-(1,3-thiazol-2-yl)acetamide
CID 97217264
3-ethoxy-N-[[(2R)-4-methylmorpholin-2-yl]methyl]-N-(1,3-thiazol-2-yl)propanamide
CID 97217221
N-[(4-methylmorpholin-2-yl)methyl]-2-(4-methylphenyl)-N-(1,3-thiazol-2-yl)acetamide
CID 75373711
N-[(4-methylmorpholin-2-yl)methyl]-2-(1-methylpyrazol-4-yl)-N-(1,3-thiazol-2-yl)acetamide
CID 154749160
N-[[(2R)-4-methylmorpholin-2-yl]methyl]-2-(3-methylphenyl)-N-(1,3-thiazol-2-yl)acetamide
CID 97072251
2-(3-fluorophenyl)-N-[[(2R)-4-methylmorpholin-2-yl]methyl]-N-(1,3-thiazol-2-yl)acetamide
CID 97217269
N-[(4-methylmorpholin-2-yl)methyl]-4-pyrazol-1-yl-N-(1,3-thiazol-2-yl)butanamide
CID 71929003
1-benzyl-3-[[(2S)-4-methylmorpholin-2-yl]methyl]-1-(1,3-thiazol-2-ylmethyl)urea
CID 125436994
3-bromo-N-[(2-oxopyrrolidin-1-yl)methyl]-N-(1,3-thiazol-2-yl)benzamide
CID 4621032
1-[2-oxo-2-[(3R)-3-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]pyrrolidin-2-one
CID 95761166
2-[[(2S)-4-methylmorpholin-2-yl]methylamino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 96998898
1-methyl-3-[(2S)-4-(2-oxopyrrolidin-1-yl)butan-2-yl]-1-(1,3-thiazol-2-ylmethyl)urea
CID 95969174

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-4-methylmorpholin-2-yl]methyl]-2-(2-oxopyrrolidin-1-yl)-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of N-[[(2S)-4-methylmorpholin-2-yl]methyl]-2-(2-oxopyrrolidin-1-yl)-N-(1,3-thiazol-2-yl)acetamide (CID 97062168) is N-[[(2S)-4-methylmorpholin-2-yl]methyl]-2-(2-oxopyrrolidin-1-yl)-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for N-[[(2S)-4-methylmorpholin-2-yl]methyl]-2-(2-oxopyrrolidin-1-yl)-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for N-[[(2S)-4-methylmorpholin-2-yl]methyl]-2-(2-oxopyrrolidin-1-yl)-N-(1,3-thiazol-2-yl)acetamide is CN1CCO[C@H](CN(C(=O)CN2CCCC2=O)c2nccs2)C1.
What is the InChIKey of N-[[(2S)-4-methylmorpholin-2-yl]methyl]-2-(2-oxopyrrolidin-1-yl)-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is VRXXSCOFEMTOSD-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H22N4O3S/c1-17-6-7-22-12(9-17)10-19(15-16-4-8-23-15)14(21)11-18-5-2-3-13(18)20/h4,8,12H,2-3,5-7,9-11H2,1H3/t12-/m0/s1.
What are the key properties of N-[[(2S)-4-methylmorpholin-2-yl]methyl]-2-(2-oxopyrrolidin-1-yl)-N-(1,3-thiazol-2-yl)acetamide?
N-[[(2S)-4-methylmorpholin-2-yl]methyl]-2-(2-oxopyrrolidin-1-yl)-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 338.43 g/mol, XLogP of 0.43, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-4-methylmorpholin-2-yl]methyl]-2-(2-oxopyrrolidin-1-yl)-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 97062168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).