5-[5-(4-ethylpiperazin-1-yl)sulfonylthiophen-2-yl]-3-methyl-1,2-oxazole

C14H19N3O3S2 — CID 20936267

IUPAC5-[5-(4-ethylpiperazin-1-yl)sulfonylthiophen-2-yl]-3-methyl-1,2-oxazole
SMILESCCN1CCN(S(=O)(=O)c2ccc(-c3cc(C)no3)s2)CC1
InChIInChI=1S/C14H19N3O3S2/c1-3-16-6-8-17(9-7-16)22(18,19)14-5-4-13(21-14)12-10-11(2)15-20-12/h4-5,10H,3,6-9H2,1-2H3
InChIKeyLYFYYFSTOJUORB-UHFFFAOYSA-N
MW341.46 g/mol
LogP2.04
Rot. Bonds4

About 5-[5-(4-ethylpiperazin-1-yl)sulfonylthiophen-2-yl]-3-methyl-1,2-oxazole

5-[5-(4-ethylpiperazin-1-yl)sulfonylthiophen-2-yl]-3-methyl-1,2-oxazole (PubChem CID 20936267) has the molecular formula C14H19N3O3S2 and a molecular weight of 341.46 g/mol. Its IUPAC name is 5-[5-(4-ethylpiperazin-1-yl)sulfonylthiophen-2-yl]-3-methyl-1,2-oxazole.

Molecular Properties

Compound Name5-[5-(4-ethylpiperazin-1-yl)sulfonylthiophen-2-yl]-3-methyl-1,2-oxazole
PubChem CID20936267
Molecular FormulaC14H19N3O3S2
Molecular Weight341.46 g/mol
Exact Mass341.09
IUPAC Name5-[5-(4-ethylpiperazin-1-yl)sulfonylthiophen-2-yl]-3-methyl-1,2-oxazole
SMILESCCN1CCN(S(=O)(=O)c2ccc(-c3cc(C)no3)s2)CC1
InChIInChI=1S/C14H19N3O3S2/c1-3-16-6-8-17(9-7-16)22(18,19)14-5-4-13(21-14)12-10-11(2)15-20-12/h4-5,10H,3,6-9H2,1-2H3
InChIKeyLYFYYFSTOJUORB-UHFFFAOYSA-N
XLogP2.04
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[5-(4-ethylpiperazin-1-yl)sulfonylthiophen-2-yl]-3-methyl-1,2-oxazole?
The IUPAC name of 5-[5-(4-ethylpiperazin-1-yl)sulfonylthiophen-2-yl]-3-methyl-1,2-oxazole (CID 20936267) is 5-[5-(4-ethylpiperazin-1-yl)sulfonylthiophen-2-yl]-3-methyl-1,2-oxazole.
What is the SMILES notation for 5-[5-(4-ethylpiperazin-1-yl)sulfonylthiophen-2-yl]-3-methyl-1,2-oxazole?
The canonical SMILES for 5-[5-(4-ethylpiperazin-1-yl)sulfonylthiophen-2-yl]-3-methyl-1,2-oxazole is CCN1CCN(S(=O)(=O)c2ccc(-c3cc(C)no3)s2)CC1.
What is the InChIKey of 5-[5-(4-ethylpiperazin-1-yl)sulfonylthiophen-2-yl]-3-methyl-1,2-oxazole?
The InChIKey is LYFYYFSTOJUORB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3S2/c1-3-16-6-8-17(9-7-16)22(18,19)14-5-4-13(21-14)12-10-11(2)15-20-12/h4-5,10H,3,6-9H2,1-2H3.
What are the key properties of 5-[5-(4-ethylpiperazin-1-yl)sulfonylthiophen-2-yl]-3-methyl-1,2-oxazole?
5-[5-(4-ethylpiperazin-1-yl)sulfonylthiophen-2-yl]-3-methyl-1,2-oxazole has a molecular weight of 341.46 g/mol, XLogP of 2.04, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(4-ethylpiperazin-1-yl)sulfonylthiophen-2-yl]-3-methyl-1,2-oxazole is sourced from PubChem (CID 20936267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).