2-(4-ethylpiperazin-1-yl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide

C13H22N4OS — CID 3229474

IUPAC2-(4-ethylpiperazin-1-yl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide
SMILESCCN1CCN(C(C)C(=O)Nc2ncc(C)s2)CC1
InChIInChI=1S/C13H22N4OS/c1-4-16-5-7-17(8-6-16)11(3)12(18)15-13-14-9-10(2)19-13/h9,11H,4-8H2,1-3H3,(H,14,15,18)
InChIKeyOTCSBMDIVGIYBH-UHFFFAOYSA-N
MW282.41 g/mol
LogP1.42
Rot. Bonds4

About 2-(4-ethylpiperazin-1-yl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide

2-(4-ethylpiperazin-1-yl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide (PubChem CID 3229474) has the molecular formula C13H22N4OS and a molecular weight of 282.41 g/mol. Its IUPAC name is 2-(4-ethylpiperazin-1-yl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name2-(4-ethylpiperazin-1-yl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide
PubChem CID3229474
Molecular FormulaC13H22N4OS
Molecular Weight282.41 g/mol
Exact Mass282.15
IUPAC Name2-(4-ethylpiperazin-1-yl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide
SMILESCCN1CCN(C(C)C(=O)Nc2ncc(C)s2)CC1
InChIInChI=1S/C13H22N4OS/c1-4-16-5-7-17(8-6-16)11(3)12(18)15-13-14-9-10(2)19-13/h9,11H,4-8H2,1-3H3,(H,14,15,18)
InChIKeyOTCSBMDIVGIYBH-UHFFFAOYSA-N
XLogP1.42
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylpiperazin-1-yl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide?
The IUPAC name of 2-(4-ethylpiperazin-1-yl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide (CID 3229474) is 2-(4-ethylpiperazin-1-yl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 2-(4-ethylpiperazin-1-yl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 2-(4-ethylpiperazin-1-yl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide is CCN1CCN(C(C)C(=O)Nc2ncc(C)s2)CC1.
What is the InChIKey of 2-(4-ethylpiperazin-1-yl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide?
The InChIKey is OTCSBMDIVGIYBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4OS/c1-4-16-5-7-17(8-6-16)11(3)12(18)15-13-14-9-10(2)19-13/h9,11H,4-8H2,1-3H3,(H,14,15,18).
What are the key properties of 2-(4-ethylpiperazin-1-yl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide?
2-(4-ethylpiperazin-1-yl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide has a molecular weight of 282.41 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylpiperazin-1-yl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 3229474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).