N-benzyl-2-(3-methyl-2-oxopyrrolidin-1-yl)-N-(1,3-thiazol-2-ylmethyl)acetamide

C18H21N3O2S — CID 72918801

IUPACN-benzyl-2-(3-methyl-2-oxopyrrolidin-1-yl)-N-(1,3-thiazol-2-ylmethyl)acetamide
SMILESCC1CCN(CC(=O)N(Cc2ccccc2)Cc2nccs2)C1=O
InChIInChI=1S/C18H21N3O2S/c1-14-7-9-20(18(14)23)13-17(22)21(12-16-19-8-10-24-16)11-15-5-3-2-4-6-15/h2-6,8,10,14H,7,9,11-13H2,1H3
InChIKeyUDFPYQVQEVLAPM-UHFFFAOYSA-N
MW343.45 g/mol
LogP2.54
Rot. Bonds6

About N-benzyl-2-(3-methyl-2-oxopyrrolidin-1-yl)-N-(1,3-thiazol-2-ylmethyl)acetamide

N-benzyl-2-(3-methyl-2-oxopyrrolidin-1-yl)-N-(1,3-thiazol-2-ylmethyl)acetamide (PubChem CID 72918801) has the molecular formula C18H21N3O2S and a molecular weight of 343.45 g/mol. Its IUPAC name is N-benzyl-2-(3-methyl-2-oxopyrrolidin-1-yl)-N-(1,3-thiazol-2-ylmethyl)acetamide.

Molecular Properties

Compound NameN-benzyl-2-(3-methyl-2-oxopyrrolidin-1-yl)-N-(1,3-thiazol-2-ylmethyl)acetamide
PubChem CID72918801
Molecular FormulaC18H21N3O2S
Molecular Weight343.45 g/mol
Exact Mass343.14
IUPAC NameN-benzyl-2-(3-methyl-2-oxopyrrolidin-1-yl)-N-(1,3-thiazol-2-ylmethyl)acetamide
SMILESCC1CCN(CC(=O)N(Cc2ccccc2)Cc2nccs2)C1=O
InChIInChI=1S/C18H21N3O2S/c1-14-7-9-20(18(14)23)13-17(22)21(12-16-19-8-10-24-16)11-15-5-3-2-4-6-15/h2-6,8,10,14H,7,9,11-13H2,1H3
InChIKeyUDFPYQVQEVLAPM-UHFFFAOYSA-N
XLogP2.54
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(3-methyl-2-oxopyrrolidin-1-yl)-N-(1,3-thiazol-2-ylmethyl)acetamide?
The IUPAC name of N-benzyl-2-(3-methyl-2-oxopyrrolidin-1-yl)-N-(1,3-thiazol-2-ylmethyl)acetamide (CID 72918801) is N-benzyl-2-(3-methyl-2-oxopyrrolidin-1-yl)-N-(1,3-thiazol-2-ylmethyl)acetamide.
What is the SMILES notation for N-benzyl-2-(3-methyl-2-oxopyrrolidin-1-yl)-N-(1,3-thiazol-2-ylmethyl)acetamide?
The canonical SMILES for N-benzyl-2-(3-methyl-2-oxopyrrolidin-1-yl)-N-(1,3-thiazol-2-ylmethyl)acetamide is CC1CCN(CC(=O)N(Cc2ccccc2)Cc2nccs2)C1=O.
What is the InChIKey of N-benzyl-2-(3-methyl-2-oxopyrrolidin-1-yl)-N-(1,3-thiazol-2-ylmethyl)acetamide?
The InChIKey is UDFPYQVQEVLAPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2S/c1-14-7-9-20(18(14)23)13-17(22)21(12-16-19-8-10-24-16)11-15-5-3-2-4-6-15/h2-6,8,10,14H,7,9,11-13H2,1H3.
What are the key properties of N-benzyl-2-(3-methyl-2-oxopyrrolidin-1-yl)-N-(1,3-thiazol-2-ylmethyl)acetamide?
N-benzyl-2-(3-methyl-2-oxopyrrolidin-1-yl)-N-(1,3-thiazol-2-ylmethyl)acetamide has a molecular weight of 343.45 g/mol, XLogP of 2.54, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(3-methyl-2-oxopyrrolidin-1-yl)-N-(1,3-thiazol-2-ylmethyl)acetamide is sourced from PubChem (CID 72918801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).