[1-[6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidin-4-yl]-[2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone

C26H33ClN6OS — CID 135186111

IUPAC[1-[6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidin-4-yl]-[2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone
SMILESO=C(C1CCN(c2nn3cc(-c4ccc(Cl)cc4)nc3s2)CC1)N1CCCCC1CN1CCCC1
InChIInChI=1S/C26H33ClN6OS/c27-21-8-6-19(7-9-21)23-18-33-25(28-23)35-26(29-33)31-15-10-20(11-16-31)24(34)32-14-2-1-5-22(32)17-30-12-3-4-13-30/h6-9,18,20,22H,1-5,10-17H2
InChIKeyFFVCVUJIKUFKKQ-UHFFFAOYSA-N
MW513.11 g/mol
LogP4.80
Rot. Bonds5

About [1-[6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidin-4-yl]-[2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone

[1-[6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidin-4-yl]-[2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone (PubChem CID 135186111) has the molecular formula C26H33ClN6OS and a molecular weight of 513.11 g/mol. Its IUPAC name is [1-[6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidin-4-yl]-[2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[1-[6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidin-4-yl]-[2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone
PubChem CID135186111
Molecular FormulaC26H33ClN6OS
Molecular Weight513.11 g/mol
Exact Mass512.21
IUPAC Name[1-[6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidin-4-yl]-[2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone
SMILESO=C(C1CCN(c2nn3cc(-c4ccc(Cl)cc4)nc3s2)CC1)N1CCCCC1CN1CCCC1
InChIInChI=1S/C26H33ClN6OS/c27-21-8-6-19(7-9-21)23-18-33-25(28-23)35-26(29-33)31-15-10-20(11-16-31)24(34)32-14-2-1-5-22(32)17-30-12-3-4-13-30/h6-9,18,20,22H,1-5,10-17H2
InChIKeyFFVCVUJIKUFKKQ-UHFFFAOYSA-N
XLogP4.80
TPSA56.98 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500513.11
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [1-[6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidin-4-yl]-[2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-[6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidin-4-yl]-[2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone?
The IUPAC name of [1-[6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidin-4-yl]-[2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone (CID 135186111) is [1-[6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidin-4-yl]-[2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone.
What is the SMILES notation for [1-[6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidin-4-yl]-[2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone?
The canonical SMILES for [1-[6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidin-4-yl]-[2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone is O=C(C1CCN(c2nn3cc(-c4ccc(Cl)cc4)nc3s2)CC1)N1CCCCC1CN1CCCC1.
What is the InChIKey of [1-[6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidin-4-yl]-[2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone?
The InChIKey is FFVCVUJIKUFKKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33ClN6OS/c27-21-8-6-19(7-9-21)23-18-33-25(28-23)35-26(29-33)31-15-10-20(11-16-31)24(34)32-14-2-1-5-22(32)17-30-12-3-4-13-30/h6-9,18,20,22H,1-5,10-17H2.
What are the key properties of [1-[6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidin-4-yl]-[2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone?
[1-[6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidin-4-yl]-[2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone has a molecular weight of 513.11 g/mol, XLogP of 4.80, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidin-4-yl]-[2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 135186111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).