2-[4-[2-(oxan-4-yl)ethylsulfonyl]piperazin-1-yl]-1,3-thiazole

C14H23N3O3S2 — CID 125419686

IUPAC2-[4-[2-(oxan-4-yl)ethylsulfonyl]piperazin-1-yl]-1,3-thiazole
SMILESO=S(=O)(CCC1CCOCC1)N1CCN(c2nccs2)CC1
InChIInChI=1S/C14H23N3O3S2/c18-22(19,12-3-13-1-9-20-10-2-13)17-7-5-16(6-8-17)14-15-4-11-21-14/h4,11,13H,1-3,5-10,12H2
InChIKeyFDMOIPROWHNOGP-UHFFFAOYSA-N
MW345.49 g/mol
LogP1.41
Rot. Bonds5

About 2-[4-[2-(oxan-4-yl)ethylsulfonyl]piperazin-1-yl]-1,3-thiazole

2-[4-[2-(oxan-4-yl)ethylsulfonyl]piperazin-1-yl]-1,3-thiazole (PubChem CID 125419686) has the molecular formula C14H23N3O3S2 and a molecular weight of 345.49 g/mol. Its IUPAC name is 2-[4-[2-(oxan-4-yl)ethylsulfonyl]piperazin-1-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[4-[2-(oxan-4-yl)ethylsulfonyl]piperazin-1-yl]-1,3-thiazole
PubChem CID125419686
Molecular FormulaC14H23N3O3S2
Molecular Weight345.49 g/mol
Exact Mass345.12
IUPAC Name2-[4-[2-(oxan-4-yl)ethylsulfonyl]piperazin-1-yl]-1,3-thiazole
SMILESO=S(=O)(CCC1CCOCC1)N1CCN(c2nccs2)CC1
InChIInChI=1S/C14H23N3O3S2/c18-22(19,12-3-13-1-9-20-10-2-13)17-7-5-16(6-8-17)14-15-4-11-21-14/h4,11,13H,1-3,5-10,12H2
InChIKeyFDMOIPROWHNOGP-UHFFFAOYSA-N
XLogP1.41
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(oxan-4-yl)ethylsulfonyl]piperazin-1-yl]-1,3-thiazole?
The IUPAC name of 2-[4-[2-(oxan-4-yl)ethylsulfonyl]piperazin-1-yl]-1,3-thiazole (CID 125419686) is 2-[4-[2-(oxan-4-yl)ethylsulfonyl]piperazin-1-yl]-1,3-thiazole.
What is the SMILES notation for 2-[4-[2-(oxan-4-yl)ethylsulfonyl]piperazin-1-yl]-1,3-thiazole?
The canonical SMILES for 2-[4-[2-(oxan-4-yl)ethylsulfonyl]piperazin-1-yl]-1,3-thiazole is O=S(=O)(CCC1CCOCC1)N1CCN(c2nccs2)CC1.
What is the InChIKey of 2-[4-[2-(oxan-4-yl)ethylsulfonyl]piperazin-1-yl]-1,3-thiazole?
The InChIKey is FDMOIPROWHNOGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3S2/c18-22(19,12-3-13-1-9-20-10-2-13)17-7-5-16(6-8-17)14-15-4-11-21-14/h4,11,13H,1-3,5-10,12H2.
What are the key properties of 2-[4-[2-(oxan-4-yl)ethylsulfonyl]piperazin-1-yl]-1,3-thiazole?
2-[4-[2-(oxan-4-yl)ethylsulfonyl]piperazin-1-yl]-1,3-thiazole has a molecular weight of 345.49 g/mol, XLogP of 1.41, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(oxan-4-yl)ethylsulfonyl]piperazin-1-yl]-1,3-thiazole is sourced from PubChem (CID 125419686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).