4-[(2-acetamido-1,3-thiazol-4-yl)methyl]-N,N-diethylpiperazine-1-carboxamide

C15H25N5O2S — CID 38131593

IUPAC4-[(2-acetamido-1,3-thiazol-4-yl)methyl]-N,N-diethylpiperazine-1-carboxamide
SMILESCCN(CC)C(=O)N1CCN(Cc2csc(NC(C)=O)n2)CC1
InChIInChI=1S/C15H25N5O2S/c1-4-19(5-2)15(22)20-8-6-18(7-9-20)10-13-11-23-14(17-13)16-12(3)21/h11H,4-10H2,1-3H3,(H,16,17,21)
InChIKeyPIUTXIBQXQXRHG-UHFFFAOYSA-N
MW339.47 g/mol
LogP1.68
Rot. Bonds5

About 4-[(2-acetamido-1,3-thiazol-4-yl)methyl]-N,N-diethylpiperazine-1-carboxamide

4-[(2-acetamido-1,3-thiazol-4-yl)methyl]-N,N-diethylpiperazine-1-carboxamide (PubChem CID 38131593) has the molecular formula C15H25N5O2S and a molecular weight of 339.47 g/mol. Its IUPAC name is 4-[(2-acetamido-1,3-thiazol-4-yl)methyl]-N,N-diethylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-[(2-acetamido-1,3-thiazol-4-yl)methyl]-N,N-diethylpiperazine-1-carboxamide
PubChem CID38131593
Molecular FormulaC15H25N5O2S
Molecular Weight339.47 g/mol
Exact Mass339.17
IUPAC Name4-[(2-acetamido-1,3-thiazol-4-yl)methyl]-N,N-diethylpiperazine-1-carboxamide
SMILESCCN(CC)C(=O)N1CCN(Cc2csc(NC(C)=O)n2)CC1
InChIInChI=1S/C15H25N5O2S/c1-4-19(5-2)15(22)20-8-6-18(7-9-20)10-13-11-23-14(17-13)16-12(3)21/h11H,4-10H2,1-3H3,(H,16,17,21)
InChIKeyPIUTXIBQXQXRHG-UHFFFAOYSA-N
XLogP1.68
TPSA68.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.47
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-acetamido-1,3-thiazol-4-yl)methyl]-N,N-diethylpiperazine-1-carboxamide?
The IUPAC name of 4-[(2-acetamido-1,3-thiazol-4-yl)methyl]-N,N-diethylpiperazine-1-carboxamide (CID 38131593) is 4-[(2-acetamido-1,3-thiazol-4-yl)methyl]-N,N-diethylpiperazine-1-carboxamide.
What is the SMILES notation for 4-[(2-acetamido-1,3-thiazol-4-yl)methyl]-N,N-diethylpiperazine-1-carboxamide?
The canonical SMILES for 4-[(2-acetamido-1,3-thiazol-4-yl)methyl]-N,N-diethylpiperazine-1-carboxamide is CCN(CC)C(=O)N1CCN(Cc2csc(NC(C)=O)n2)CC1.
What is the InChIKey of 4-[(2-acetamido-1,3-thiazol-4-yl)methyl]-N,N-diethylpiperazine-1-carboxamide?
The InChIKey is PIUTXIBQXQXRHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O2S/c1-4-19(5-2)15(22)20-8-6-18(7-9-20)10-13-11-23-14(17-13)16-12(3)21/h11H,4-10H2,1-3H3,(H,16,17,21).
What are the key properties of 4-[(2-acetamido-1,3-thiazol-4-yl)methyl]-N,N-diethylpiperazine-1-carboxamide?
4-[(2-acetamido-1,3-thiazol-4-yl)methyl]-N,N-diethylpiperazine-1-carboxamide has a molecular weight of 339.47 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-acetamido-1,3-thiazol-4-yl)methyl]-N,N-diethylpiperazine-1-carboxamide is sourced from PubChem (CID 38131593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).