2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-5-methyl-1,3,4-thiadiazole

C15H20N4O3S2 — CID 108780892

IUPAC2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-5-methyl-1,3,4-thiadiazole
SMILESCCOc1ccc(S(=O)(=O)N2CCN(c3nnc(C)s3)CC2)cc1
InChIInChI=1S/C15H20N4O3S2/c1-3-22-13-4-6-14(7-5-13)24(20,21)19-10-8-18(9-11-19)15-17-16-12(2)23-15/h4-7H,3,8-11H2,1-2H3
InChIKeyHGJRYXUSPXZSDH-UHFFFAOYSA-N
MW368.48 g/mol
LogP1.76
Rot. Bonds5

About 2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-5-methyl-1,3,4-thiadiazole

2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-5-methyl-1,3,4-thiadiazole (PubChem CID 108780892) has the molecular formula C15H20N4O3S2 and a molecular weight of 368.48 g/mol. Its IUPAC name is 2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-5-methyl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-5-methyl-1,3,4-thiadiazole
PubChem CID108780892
Molecular FormulaC15H20N4O3S2
Molecular Weight368.48 g/mol
Exact Mass368.10
IUPAC Name2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-5-methyl-1,3,4-thiadiazole
SMILESCCOc1ccc(S(=O)(=O)N2CCN(c3nnc(C)s3)CC2)cc1
InChIInChI=1S/C15H20N4O3S2/c1-3-22-13-4-6-14(7-5-13)24(20,21)19-10-8-18(9-11-19)15-17-16-12(2)23-15/h4-7H,3,8-11H2,1-2H3
InChIKeyHGJRYXUSPXZSDH-UHFFFAOYSA-N
XLogP1.76
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-5-propan-2-yl-1,3,4-thiadiazole
CID 133381608
2-[4-(benzenesulfonyl)piperazin-1-yl]-5-methyl-1,3,4-thiadiazole
CID 108780877
1-(4-ethoxyphenyl)sulfonyl-4-(4-methoxyphenyl)piperazine
CID 1306330
1-(4-ethoxyphenyl)sulfonyl-4-methylsulfonylpiperazine
CID 2448017
3-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]pyridazine
CID 121060928
1-(4-ethoxyphenyl)sulfonyl-4-(2-methoxyphenyl)piperazine
CID 1098869
2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-6-nitro-1,3-benzothiazole
CID 56575912
1-tert-butyl-4-(4-ethoxyphenyl)sulfonylpiperazine
CID 113074890
3-cyclopropyl-6-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]pyridazine
CID 122279744
1-[4-(4-ethoxyphenoxy)phenyl]sulfonylpiperazine
CID 4738891
1-(4-ethoxyphenyl)sulfonyl-4-methylsulfonylpiperidine
CID 90585227
4-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-2-methyl-6-propan-2-yloxypyrimidine
CID 42474139

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-5-methyl-1,3,4-thiadiazole?
The IUPAC name of 2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-5-methyl-1,3,4-thiadiazole (CID 108780892) is 2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-5-methyl-1,3,4-thiadiazole.
What is the SMILES notation for 2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-5-methyl-1,3,4-thiadiazole?
The canonical SMILES for 2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-5-methyl-1,3,4-thiadiazole is CCOc1ccc(S(=O)(=O)N2CCN(c3nnc(C)s3)CC2)cc1.
What is the InChIKey of 2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-5-methyl-1,3,4-thiadiazole?
The InChIKey is HGJRYXUSPXZSDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O3S2/c1-3-22-13-4-6-14(7-5-13)24(20,21)19-10-8-18(9-11-19)15-17-16-12(2)23-15/h4-7H,3,8-11H2,1-2H3.
What are the key properties of 2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-5-methyl-1,3,4-thiadiazole?
2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-5-methyl-1,3,4-thiadiazole has a molecular weight of 368.48 g/mol, XLogP of 1.76, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-5-methyl-1,3,4-thiadiazole is sourced from PubChem (CID 108780892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).