N-[2-(dimethylamino)-2-oxoethyl]-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide

C13H18N4O3S — CID 9481103

IUPACN-[2-(dimethylamino)-2-oxoethyl]-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide
SMILESCN(C)C(=O)CNC(=O)Cc1csc(N2CCCC2=O)n1
InChIInChI=1S/C13H18N4O3S/c1-16(2)12(20)7-14-10(18)6-9-8-21-13(15-9)17-5-3-4-11(17)19/h8H,3-7H2,1-2H3,(H,14,18)
InChIKeySBVUBWBCULFBPU-UHFFFAOYSA-N
MW310.38 g/mol
LogP0.02
Rot. Bonds5

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

N-[2-(dimethylamino)-2-oxoethyl]-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide (PubChem CID 9481103) has the molecular formula C13H18N4O3S and a molecular weight of 310.38 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-oxoethyl]-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-oxoethyl]-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide
PubChem CID9481103
Molecular FormulaC13H18N4O3S
Molecular Weight310.38 g/mol
Exact Mass310.11
IUPAC NameN-[2-(dimethylamino)-2-oxoethyl]-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide
SMILESCN(C)C(=O)CNC(=O)Cc1csc(N2CCCC2=O)n1
InChIInChI=1S/C13H18N4O3S/c1-16(2)12(20)7-14-10(18)6-9-8-21-13(15-9)17-5-3-4-11(17)19/h8H,3-7H2,1-2H3,(H,14,18)
InChIKeySBVUBWBCULFBPU-UHFFFAOYSA-N
XLogP0.02
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-oxoethyl]-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-[2-(dimethylamino)-2-oxoethyl]-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide (CID 9481103) is N-[2-(dimethylamino)-2-oxoethyl]-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-oxoethyl]-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-[2-(dimethylamino)-2-oxoethyl]-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide is CN(C)C(=O)CNC(=O)Cc1csc(N2CCCC2=O)n1.
What is the InChIKey of N-[2-(dimethylamino)-2-oxoethyl]-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide?
The InChIKey is SBVUBWBCULFBPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O3S/c1-16(2)12(20)7-14-10(18)6-9-8-21-13(15-9)17-5-3-4-11(17)19/h8H,3-7H2,1-2H3,(H,14,18).
What are the key properties of N-[2-(dimethylamino)-2-oxoethyl]-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide?
N-[2-(dimethylamino)-2-oxoethyl]-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide has a molecular weight of 310.38 g/mol, XLogP of 0.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-oxoethyl]-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 9481103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).