2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethanone

C16H23N3O3S2 — CID 50963646

IUPAC2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethanone
SMILESCCSc1nc(CC(=O)N2CCN(C(=O)C3CCCO3)CC2)cs1
InChIInChI=1S/C16H23N3O3S2/c1-2-23-16-17-12(11-24-16)10-14(20)18-5-7-19(8-6-18)15(21)13-4-3-9-22-13/h11,13H,2-10H2,1H3
InChIKeyPELZDNGFKLNKNK-UHFFFAOYSA-N
MW369.51 g/mol
LogP1.65
Rot. Bonds5

About 2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethanone

2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethanone (PubChem CID 50963646) has the molecular formula C16H23N3O3S2 and a molecular weight of 369.51 g/mol. Its IUPAC name is 2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethanone
PubChem CID50963646
Molecular FormulaC16H23N3O3S2
Molecular Weight369.51 g/mol
Exact Mass369.12
IUPAC Name2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethanone
SMILESCCSc1nc(CC(=O)N2CCN(C(=O)C3CCCO3)CC2)cs1
InChIInChI=1S/C16H23N3O3S2/c1-2-23-16-17-12(11-24-16)10-14(20)18-5-7-19(8-6-18)15(21)13-4-3-9-22-13/h11,13H,2-10H2,1H3
InChIKeyPELZDNGFKLNKNK-UHFFFAOYSA-N
XLogP1.65
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethanone (CID 50963646) is 2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethanone is CCSc1nc(CC(=O)N2CCN(C(=O)C3CCCO3)CC2)cs1.
What is the InChIKey of 2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethanone?
The InChIKey is PELZDNGFKLNKNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3S2/c1-2-23-16-17-12(11-24-16)10-14(20)18-5-7-19(8-6-18)15(21)13-4-3-9-22-13/h11,13H,2-10H2,1H3.
What are the key properties of 2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethanone?
2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethanone has a molecular weight of 369.51 g/mol, XLogP of 1.65, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 50963646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).