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

C15H22N4O3S — CID 71872994

IUPACN-[(4-methylmorpholin-2-yl)methyl]-2-(2-oxopyrrolidin-1-yl)-N-(1,3-thiazol-2-yl)acetamide
SMILESCN1CCOC(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
InChIKeyVRXXSCOFEMTOSD-UHFFFAOYSA-N
MW338.43 g/mol
LogP0.43
Rot. Bonds5

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

N-[(4-methylmorpholin-2-yl)methyl]-2-(2-oxopyrrolidin-1-yl)-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 71872994) has the molecular formula C15H22N4O3S and a molecular weight of 338.43 g/mol. Its IUPAC name is N-[(4-methylmorpholin-2-yl)methyl]-2-(2-oxopyrrolidin-1-yl)-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound NameN-[(4-methylmorpholin-2-yl)methyl]-2-(2-oxopyrrolidin-1-yl)-N-(1,3-thiazol-2-yl)acetamide
PubChem CID71872994
Molecular FormulaC15H22N4O3S
Molecular Weight338.43 g/mol
Exact Mass338.14
IUPAC NameN-[(4-methylmorpholin-2-yl)methyl]-2-(2-oxopyrrolidin-1-yl)-N-(1,3-thiazol-2-yl)acetamide
SMILESCN1CCOC(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
InChIKeyVRXXSCOFEMTOSD-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of N-[(4-methylmorpholin-2-yl)methyl]-2-(2-oxopyrrolidin-1-yl)-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of N-[(4-methylmorpholin-2-yl)methyl]-2-(2-oxopyrrolidin-1-yl)-N-(1,3-thiazol-2-yl)acetamide (CID 71872994) is N-[(4-methylmorpholin-2-yl)methyl]-2-(2-oxopyrrolidin-1-yl)-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for N-[(4-methylmorpholin-2-yl)methyl]-2-(2-oxopyrrolidin-1-yl)-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for N-[(4-methylmorpholin-2-yl)methyl]-2-(2-oxopyrrolidin-1-yl)-N-(1,3-thiazol-2-yl)acetamide is CN1CCOC(CN(C(=O)CN2CCCC2=O)c2nccs2)C1.
What is the InChIKey of N-[(4-methylmorpholin-2-yl)methyl]-2-(2-oxopyrrolidin-1-yl)-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is VRXXSCOFEMTOSD-UHFFFAOYSA-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.
What are the key properties of N-[(4-methylmorpholin-2-yl)methyl]-2-(2-oxopyrrolidin-1-yl)-N-(1,3-thiazol-2-yl)acetamide?
N-[(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-[(4-methylmorpholin-2-yl)methyl]-2-(2-oxopyrrolidin-1-yl)-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 71872994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).