(4-ethylpiperazin-1-yl)-[1-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidin-3-yl]methanone

C23H30N6O2S — CID 6626086

IUPAC(4-ethylpiperazin-1-yl)-[1-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidin-3-yl]methanone
SMILESCCN1CCN(C(=O)C2CCCN(c3nn4cc(-c5ccc(OC)cc5)nc4s3)C2)CC1
InChIInChI=1S/C23H30N6O2S/c1-3-26-11-13-27(14-12-26)21(30)18-5-4-10-28(15-18)23-25-29-16-20(24-22(29)32-23)17-6-8-19(31-2)9-7-17/h6-9,16,18H,3-5,10-15H2,1-2H3
InChIKeyOQJJKLYMCUIYOO-UHFFFAOYSA-N
MW454.60 g/mol
LogP2.85
Rot. Bonds5

About (4-ethylpiperazin-1-yl)-[1-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidin-3-yl]methanone

(4-ethylpiperazin-1-yl)-[1-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidin-3-yl]methanone (PubChem CID 6626086) has the molecular formula C23H30N6O2S and a molecular weight of 454.60 g/mol. Its IUPAC name is (4-ethylpiperazin-1-yl)-[1-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidin-3-yl]methanone.

Molecular Properties

Compound Name(4-ethylpiperazin-1-yl)-[1-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidin-3-yl]methanone
PubChem CID6626086
Molecular FormulaC23H30N6O2S
Molecular Weight454.60 g/mol
Exact Mass454.22
IUPAC Name(4-ethylpiperazin-1-yl)-[1-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidin-3-yl]methanone
SMILESCCN1CCN(C(=O)C2CCCN(c3nn4cc(-c5ccc(OC)cc5)nc4s3)C2)CC1
InChIInChI=1S/C23H30N6O2S/c1-3-26-11-13-27(14-12-26)21(30)18-5-4-10-28(15-18)23-25-29-16-20(24-22(29)32-23)17-6-8-19(31-2)9-7-17/h6-9,16,18H,3-5,10-15H2,1-2H3
InChIKeyOQJJKLYMCUIYOO-UHFFFAOYSA-N
XLogP2.85
TPSA66.21 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.60
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (4-ethylpiperazin-1-yl)-[1-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidin-3-yl]methanone?
The IUPAC name of (4-ethylpiperazin-1-yl)-[1-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidin-3-yl]methanone (CID 6626086) is (4-ethylpiperazin-1-yl)-[1-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidin-3-yl]methanone.
What is the SMILES notation for (4-ethylpiperazin-1-yl)-[1-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidin-3-yl]methanone?
The canonical SMILES for (4-ethylpiperazin-1-yl)-[1-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidin-3-yl]methanone is CCN1CCN(C(=O)C2CCCN(c3nn4cc(-c5ccc(OC)cc5)nc4s3)C2)CC1.
What is the InChIKey of (4-ethylpiperazin-1-yl)-[1-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidin-3-yl]methanone?
The InChIKey is OQJJKLYMCUIYOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N6O2S/c1-3-26-11-13-27(14-12-26)21(30)18-5-4-10-28(15-18)23-25-29-16-20(24-22(29)32-23)17-6-8-19(31-2)9-7-17/h6-9,16,18H,3-5,10-15H2,1-2H3.
What are the key properties of (4-ethylpiperazin-1-yl)-[1-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidin-3-yl]methanone?
(4-ethylpiperazin-1-yl)-[1-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidin-3-yl]methanone has a molecular weight of 454.60 g/mol, XLogP of 2.85, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylpiperazin-1-yl)-[1-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidin-3-yl]methanone is sourced from PubChem (CID 6626086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).