[2-[2-(dimethylamino)ethyl]-4-ethyl-1,3-thiazol-5-yl]-piperazin-1-ylmethanone

C14H24N4OS — CID 82430647

IUPAC[2-[2-(dimethylamino)ethyl]-4-ethyl-1,3-thiazol-5-yl]-piperazin-1-ylmethanone
SMILESCCc1nc(CCN(C)C)sc1C(=O)N1CCNCC1
InChIInChI=1S/C14H24N4OS/c1-4-11-13(14(19)18-9-6-15-7-10-18)20-12(16-11)5-8-17(2)3/h15H,4-10H2,1-3H3
InChIKeyQMHQYYDWWBPTIZ-UHFFFAOYSA-N
MW296.44 g/mol
LogP0.86
Rot. Bonds5

About [2-[2-(dimethylamino)ethyl]-4-ethyl-1,3-thiazol-5-yl]-piperazin-1-ylmethanone

[2-[2-(dimethylamino)ethyl]-4-ethyl-1,3-thiazol-5-yl]-piperazin-1-ylmethanone (PubChem CID 82430647) has the molecular formula C14H24N4OS and a molecular weight of 296.44 g/mol. Its IUPAC name is [2-[2-(dimethylamino)ethyl]-4-ethyl-1,3-thiazol-5-yl]-piperazin-1-ylmethanone.

Molecular Properties

Compound Name[2-[2-(dimethylamino)ethyl]-4-ethyl-1,3-thiazol-5-yl]-piperazin-1-ylmethanone
PubChem CID82430647
Molecular FormulaC14H24N4OS
Molecular Weight296.44 g/mol
Exact Mass296.17
IUPAC Name[2-[2-(dimethylamino)ethyl]-4-ethyl-1,3-thiazol-5-yl]-piperazin-1-ylmethanone
SMILESCCc1nc(CCN(C)C)sc1C(=O)N1CCNCC1
InChIInChI=1S/C14H24N4OS/c1-4-11-13(14(19)18-9-6-15-7-10-18)20-12(16-11)5-8-17(2)3/h15H,4-10H2,1-3H3
InChIKeyQMHQYYDWWBPTIZ-UHFFFAOYSA-N
XLogP0.86
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[2-(dimethylamino)ethyl]-4-ethyl-1,3-thiazol-5-yl]-piperazin-1-ylmethanone?
The IUPAC name of [2-[2-(dimethylamino)ethyl]-4-ethyl-1,3-thiazol-5-yl]-piperazin-1-ylmethanone (CID 82430647) is [2-[2-(dimethylamino)ethyl]-4-ethyl-1,3-thiazol-5-yl]-piperazin-1-ylmethanone.
What is the SMILES notation for [2-[2-(dimethylamino)ethyl]-4-ethyl-1,3-thiazol-5-yl]-piperazin-1-ylmethanone?
The canonical SMILES for [2-[2-(dimethylamino)ethyl]-4-ethyl-1,3-thiazol-5-yl]-piperazin-1-ylmethanone is CCc1nc(CCN(C)C)sc1C(=O)N1CCNCC1.
What is the InChIKey of [2-[2-(dimethylamino)ethyl]-4-ethyl-1,3-thiazol-5-yl]-piperazin-1-ylmethanone?
The InChIKey is QMHQYYDWWBPTIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4OS/c1-4-11-13(14(19)18-9-6-15-7-10-18)20-12(16-11)5-8-17(2)3/h15H,4-10H2,1-3H3.
What are the key properties of [2-[2-(dimethylamino)ethyl]-4-ethyl-1,3-thiazol-5-yl]-piperazin-1-ylmethanone?
[2-[2-(dimethylamino)ethyl]-4-ethyl-1,3-thiazol-5-yl]-piperazin-1-ylmethanone has a molecular weight of 296.44 g/mol, XLogP of 0.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(dimethylamino)ethyl]-4-ethyl-1,3-thiazol-5-yl]-piperazin-1-ylmethanone is sourced from PubChem (CID 82430647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).