1-[4-(2-ethyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]-2-methoxyethanone

C13H19N3O3S — CID 48577896

IUPAC1-[4-(2-ethyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]-2-methoxyethanone
SMILESCCc1ncc(C(=O)N2CCN(C(=O)COC)CC2)s1
InChIInChI=1S/C13H19N3O3S/c1-3-11-14-8-10(20-11)13(18)16-6-4-15(5-7-16)12(17)9-19-2/h8H,3-7,9H2,1-2H3
InChIKeyGPKQHHCPVZCAAE-UHFFFAOYSA-N
MW297.38 g/mol
LogP0.64
Rot. Bonds4

About 1-[4-(2-ethyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]-2-methoxyethanone

1-[4-(2-ethyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]-2-methoxyethanone (PubChem CID 48577896) has the molecular formula C13H19N3O3S and a molecular weight of 297.38 g/mol. Its IUPAC name is 1-[4-(2-ethyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]-2-methoxyethanone.

Molecular Properties

Compound Name1-[4-(2-ethyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]-2-methoxyethanone
PubChem CID48577896
Molecular FormulaC13H19N3O3S
Molecular Weight297.38 g/mol
Exact Mass297.11
IUPAC Name1-[4-(2-ethyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]-2-methoxyethanone
SMILESCCc1ncc(C(=O)N2CCN(C(=O)COC)CC2)s1
InChIInChI=1S/C13H19N3O3S/c1-3-11-14-8-10(20-11)13(18)16-6-4-15(5-7-16)12(17)9-19-2/h8H,3-7,9H2,1-2H3
InChIKeyGPKQHHCPVZCAAE-UHFFFAOYSA-N
XLogP0.64
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2-Tert-butyl-1,3-thiazol-5-yl)-[2-(methoxymethyl)morpholin-4-yl]methanone
CID 72126678
1-(2-Methoxyethyl)-4-(1,3-thiazol-5-ylmethyl)piperazin-2-one
CID 86785266
(2-Cyclopropyl-1,3-thiazol-5-yl)-(3,4,5-trimethylpiperazin-1-yl)methanone
CID 86796249
[(2S)-2,4-diethylpiperazin-1-yl]-[2-(1,3-dioxolan-2-yl)-1,3-thiazol-5-yl]methanone
CID 125534054
(2-tert-butyl-1,3-thiazol-5-yl)-[(6S)-2,2,6-trimethylmorpholin-4-yl]methanone
CID 129367238
2-(1-ethoxyethyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-thiazole-5-carboxamide
CID 120810583
[2,2-Dimethyl-6-(trifluoromethyl)morpholin-4-yl]-[2-(1-hydroxyethyl)-1,3-thiazol-5-yl]methanone
CID 145889441
N-(3-methyl-1-morpholin-4-ylbutan-2-yl)-2-propyl-1,3-thiazole-5-carboxamide
CID 71856475
2-bromo-N-(2-morpholin-4-ylethyl)-1,3-thiazole-5-carboxamide
CID 117085175
(2-Methyl-5-thiazolyl)-1-piperidinylmethanone
CID 23311721
(2-Bromothiazol-5-yl)(morpholino)methanone
CID 67110494
N,N-dimethyl-2-[(methylideneamino)methyl]-1,3-thiazole-5-carboxamide
CID 67890597

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-ethyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]-2-methoxyethanone?
The IUPAC name of 1-[4-(2-ethyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]-2-methoxyethanone (CID 48577896) is 1-[4-(2-ethyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]-2-methoxyethanone.
What is the SMILES notation for 1-[4-(2-ethyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]-2-methoxyethanone?
The canonical SMILES for 1-[4-(2-ethyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]-2-methoxyethanone is CCc1ncc(C(=O)N2CCN(C(=O)COC)CC2)s1.
What is the InChIKey of 1-[4-(2-ethyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]-2-methoxyethanone?
The InChIKey is GPKQHHCPVZCAAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3S/c1-3-11-14-8-10(20-11)13(18)16-6-4-15(5-7-16)12(17)9-19-2/h8H,3-7,9H2,1-2H3.
What are the key properties of 1-[4-(2-ethyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]-2-methoxyethanone?
1-[4-(2-ethyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]-2-methoxyethanone has a molecular weight of 297.38 g/mol, XLogP of 0.64, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-ethyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]-2-methoxyethanone is sourced from PubChem (CID 48577896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).