5-[4-(4-ethylpiperazin-1-yl)sulfonyl-5-methylthiophen-2-yl]-1,2-oxazole

C14H19N3O3S2 — CID 53079522

IUPAC5-[4-(4-ethylpiperazin-1-yl)sulfonyl-5-methylthiophen-2-yl]-1,2-oxazole
SMILESCCN1CCN(S(=O)(=O)c2cc(-c3ccno3)sc2C)CC1
InChIInChI=1S/C14H19N3O3S2/c1-3-16-6-8-17(9-7-16)22(18,19)14-10-13(21-11(14)2)12-4-5-15-20-12/h4-5,10H,3,6-9H2,1-2H3
InChIKeyZUQGRPTXJDPNDK-UHFFFAOYSA-N
MW341.46 g/mol
LogP2.04
Rot. Bonds4

About 5-[4-(4-ethylpiperazin-1-yl)sulfonyl-5-methylthiophen-2-yl]-1,2-oxazole

5-[4-(4-ethylpiperazin-1-yl)sulfonyl-5-methylthiophen-2-yl]-1,2-oxazole (PubChem CID 53079522) has the molecular formula C14H19N3O3S2 and a molecular weight of 341.46 g/mol. Its IUPAC name is 5-[4-(4-ethylpiperazin-1-yl)sulfonyl-5-methylthiophen-2-yl]-1,2-oxazole.

Molecular Properties

Compound Name5-[4-(4-ethylpiperazin-1-yl)sulfonyl-5-methylthiophen-2-yl]-1,2-oxazole
PubChem CID53079522
Molecular FormulaC14H19N3O3S2
Molecular Weight341.46 g/mol
Exact Mass341.09
IUPAC Name5-[4-(4-ethylpiperazin-1-yl)sulfonyl-5-methylthiophen-2-yl]-1,2-oxazole
SMILESCCN1CCN(S(=O)(=O)c2cc(-c3ccno3)sc2C)CC1
InChIInChI=1S/C14H19N3O3S2/c1-3-16-6-8-17(9-7-16)22(18,19)14-10-13(21-11(14)2)12-4-5-15-20-12/h4-5,10H,3,6-9H2,1-2H3
InChIKeyZUQGRPTXJDPNDK-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-[4-(4-ethylpiperazin-1-yl)sulfonyl-5-methylthiophen-2-yl]-1,2-oxazole?
The IUPAC name of 5-[4-(4-ethylpiperazin-1-yl)sulfonyl-5-methylthiophen-2-yl]-1,2-oxazole (CID 53079522) is 5-[4-(4-ethylpiperazin-1-yl)sulfonyl-5-methylthiophen-2-yl]-1,2-oxazole.
What is the SMILES notation for 5-[4-(4-ethylpiperazin-1-yl)sulfonyl-5-methylthiophen-2-yl]-1,2-oxazole?
The canonical SMILES for 5-[4-(4-ethylpiperazin-1-yl)sulfonyl-5-methylthiophen-2-yl]-1,2-oxazole is CCN1CCN(S(=O)(=O)c2cc(-c3ccno3)sc2C)CC1.
What is the InChIKey of 5-[4-(4-ethylpiperazin-1-yl)sulfonyl-5-methylthiophen-2-yl]-1,2-oxazole?
The InChIKey is ZUQGRPTXJDPNDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3S2/c1-3-16-6-8-17(9-7-16)22(18,19)14-10-13(21-11(14)2)12-4-5-15-20-12/h4-5,10H,3,6-9H2,1-2H3.
What are the key properties of 5-[4-(4-ethylpiperazin-1-yl)sulfonyl-5-methylthiophen-2-yl]-1,2-oxazole?
5-[4-(4-ethylpiperazin-1-yl)sulfonyl-5-methylthiophen-2-yl]-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-[4-(4-ethylpiperazin-1-yl)sulfonyl-5-methylthiophen-2-yl]-1,2-oxazole is sourced from PubChem (CID 53079522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).