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

C13H22N4OS — CID 1439249

IUPAC(2S)-2-(4-ethylpiperazin-1-yl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide
SMILESCCN1CCN([C@@H](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)/t11-/m0/s1
InChIKeyOTCSBMDIVGIYBH-NSHDSACASA-N
MW282.41 g/mol
LogP1.42
Rot. Bonds4

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

(2S)-2-(4-ethylpiperazin-1-yl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide (PubChem CID 1439249) has the molecular formula C13H22N4OS and a molecular weight of 282.41 g/mol. Its IUPAC name is (2S)-2-(4-ethylpiperazin-1-yl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-(4-ethylpiperazin-1-yl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide
PubChem CID1439249
Molecular FormulaC13H22N4OS
Molecular Weight282.41 g/mol
Exact Mass282.15
IUPAC Name(2S)-2-(4-ethylpiperazin-1-yl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide
SMILESCCN1CCN([C@@H](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)/t11-/m0/s1
InChIKeyOTCSBMDIVGIYBH-NSHDSACASA-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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Related Compounds

N-(5-Methyl-thiazol-2-yl)-2-piperidin-1-yl-acetamide
CID 23724323
2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]-3-methylpiperazin-1-yl]-N-cyclohexylacetamide
CID 163368465
N-[5-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]acetamide
CID 314318
2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-N-cyclohexylacetamide
CID 163368446
N-(5-methyl-1,3-thiazol-2-yl)-2-piperidin-1-ylacetamide
CID 856406
2-(4-methylpiperazin-1-yl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide;oxalic acid
CID 16195100
2-Acetamido-5-methylthiazole
CID 298507
2-(4-methylpiperazin-1-yl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide
CID 3229459
2-(4-methylpiperazin-1-yl)-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 66573013
2-(4-methylpiperazin-1-yl)-N-(1,3-thiazol-2-yl)propanamide
CID 66573025
2-(4-ethylpiperazin-1-yl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide
CID 3229474
2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1-propanoylazetidine-2-carboxamide
CID 49791225

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-ethylpiperazin-1-yl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide?
The IUPAC name of (2S)-2-(4-ethylpiperazin-1-yl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide (CID 1439249) is (2S)-2-(4-ethylpiperazin-1-yl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for (2S)-2-(4-ethylpiperazin-1-yl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide?
The canonical SMILES for (2S)-2-(4-ethylpiperazin-1-yl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide is CCN1CCN([C@@H](C)C(=O)Nc2ncc(C)s2)CC1.
What is the InChIKey of (2S)-2-(4-ethylpiperazin-1-yl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide?
The InChIKey is OTCSBMDIVGIYBH-NSHDSACASA-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)/t11-/m0/s1.
What are the key properties of (2S)-2-(4-ethylpiperazin-1-yl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide?
(2S)-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 (2S)-2-(4-ethylpiperazin-1-yl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 1439249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).