2-[4-(2-ethoxyphenyl)piperazin-1-yl]-5-propan-2-yl-1,3,4-thiadiazole

C17H24N4OS — CID 133365981

IUPAC2-[4-(2-ethoxyphenyl)piperazin-1-yl]-5-propan-2-yl-1,3,4-thiadiazole
SMILESCCOc1ccccc1N1CCN(c2nnc(C(C)C)s2)CC1
InChIInChI=1S/C17H24N4OS/c1-4-22-15-8-6-5-7-14(15)20-9-11-21(12-10-20)17-19-18-16(23-17)13(2)3/h5-8,13H,4,9-12H2,1-3H3
InChIKeyCWFWIRUBGVWCHU-UHFFFAOYSA-N
MW332.47 g/mol
LogP3.39
Rot. Bonds5

About 2-[4-(2-ethoxyphenyl)piperazin-1-yl]-5-propan-2-yl-1,3,4-thiadiazole

2-[4-(2-ethoxyphenyl)piperazin-1-yl]-5-propan-2-yl-1,3,4-thiadiazole (PubChem CID 133365981) has the molecular formula C17H24N4OS and a molecular weight of 332.47 g/mol. Its IUPAC name is 2-[4-(2-ethoxyphenyl)piperazin-1-yl]-5-propan-2-yl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-[4-(2-ethoxyphenyl)piperazin-1-yl]-5-propan-2-yl-1,3,4-thiadiazole
PubChem CID133365981
Molecular FormulaC17H24N4OS
Molecular Weight332.47 g/mol
Exact Mass332.17
IUPAC Name2-[4-(2-ethoxyphenyl)piperazin-1-yl]-5-propan-2-yl-1,3,4-thiadiazole
SMILESCCOc1ccccc1N1CCN(c2nnc(C(C)C)s2)CC1
InChIInChI=1S/C17H24N4OS/c1-4-22-15-8-6-5-7-14(15)20-9-11-21(12-10-20)17-19-18-16(23-17)13(2)3/h5-8,13H,4,9-12H2,1-3H3
InChIKeyCWFWIRUBGVWCHU-UHFFFAOYSA-N
XLogP3.39
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-ethoxyphenyl)piperazin-1-yl]-5-propan-2-yl-1,3,4-thiadiazole?
The IUPAC name of 2-[4-(2-ethoxyphenyl)piperazin-1-yl]-5-propan-2-yl-1,3,4-thiadiazole (CID 133365981) is 2-[4-(2-ethoxyphenyl)piperazin-1-yl]-5-propan-2-yl-1,3,4-thiadiazole.
What is the SMILES notation for 2-[4-(2-ethoxyphenyl)piperazin-1-yl]-5-propan-2-yl-1,3,4-thiadiazole?
The canonical SMILES for 2-[4-(2-ethoxyphenyl)piperazin-1-yl]-5-propan-2-yl-1,3,4-thiadiazole is CCOc1ccccc1N1CCN(c2nnc(C(C)C)s2)CC1.
What is the InChIKey of 2-[4-(2-ethoxyphenyl)piperazin-1-yl]-5-propan-2-yl-1,3,4-thiadiazole?
The InChIKey is CWFWIRUBGVWCHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4OS/c1-4-22-15-8-6-5-7-14(15)20-9-11-21(12-10-20)17-19-18-16(23-17)13(2)3/h5-8,13H,4,9-12H2,1-3H3.
What are the key properties of 2-[4-(2-ethoxyphenyl)piperazin-1-yl]-5-propan-2-yl-1,3,4-thiadiazole?
2-[4-(2-ethoxyphenyl)piperazin-1-yl]-5-propan-2-yl-1,3,4-thiadiazole has a molecular weight of 332.47 g/mol, XLogP of 3.39, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-ethoxyphenyl)piperazin-1-yl]-5-propan-2-yl-1,3,4-thiadiazole is sourced from PubChem (CID 133365981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).