2-N,2-N-diethyl-1-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-1,2-dicarboxamide

C16H26N4O2S — CID 71868297

IUPAC2-N,2-N-diethyl-1-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-1,2-dicarboxamide
SMILESCCN(CC)C(=O)C1CCCN1C(=O)NC(C)c1csc(C)n1
InChIInChI=1S/C16H26N4O2S/c1-5-19(6-2)15(21)14-8-7-9-20(14)16(22)17-11(3)13-10-23-12(4)18-13/h10-11,14H,5-9H2,1-4H3,(H,17,22)
InChIKeyTVYCADJGRQCPBC-UHFFFAOYSA-N
MW338.48 g/mol
LogP2.55
Rot. Bonds5

About 2-N,2-N-diethyl-1-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-1,2-dicarboxamide

2-N,2-N-diethyl-1-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-1,2-dicarboxamide (PubChem CID 71868297) has the molecular formula C16H26N4O2S and a molecular weight of 338.48 g/mol. Its IUPAC name is 2-N,2-N-diethyl-1-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name2-N,2-N-diethyl-1-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-1,2-dicarboxamide
PubChem CID71868297
Molecular FormulaC16H26N4O2S
Molecular Weight338.48 g/mol
Exact Mass338.18
IUPAC Name2-N,2-N-diethyl-1-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-1,2-dicarboxamide
SMILESCCN(CC)C(=O)C1CCCN1C(=O)NC(C)c1csc(C)n1
InChIInChI=1S/C16H26N4O2S/c1-5-19(6-2)15(21)14-8-7-9-20(14)16(22)17-11(3)13-10-23-12(4)18-13/h10-11,14H,5-9H2,1-4H3,(H,17,22)
InChIKeyTVYCADJGRQCPBC-UHFFFAOYSA-N
XLogP2.55
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.48
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-diethyl-1-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-1,2-dicarboxamide?
The IUPAC name of 2-N,2-N-diethyl-1-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-1,2-dicarboxamide (CID 71868297) is 2-N,2-N-diethyl-1-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for 2-N,2-N-diethyl-1-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-1,2-dicarboxamide?
The canonical SMILES for 2-N,2-N-diethyl-1-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-1,2-dicarboxamide is CCN(CC)C(=O)C1CCCN1C(=O)NC(C)c1csc(C)n1.
What is the InChIKey of 2-N,2-N-diethyl-1-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-1,2-dicarboxamide?
The InChIKey is TVYCADJGRQCPBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2S/c1-5-19(6-2)15(21)14-8-7-9-20(14)16(22)17-11(3)13-10-23-12(4)18-13/h10-11,14H,5-9H2,1-4H3,(H,17,22).
What are the key properties of 2-N,2-N-diethyl-1-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-1,2-dicarboxamide?
2-N,2-N-diethyl-1-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-1,2-dicarboxamide has a molecular weight of 338.48 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-diethyl-1-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 71868297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).