imidazo[2,1-b][1,3]thiazol-6-yl-[4-[2-[2-(2-methoxyphenyl)ethyl]benzimidazol-1-yl]piperidin-1-yl]methanone

C27H27N5O2S — CID 42170550

IUPACimidazo[2,1-b][1,3]thiazol-6-yl-[4-[2-[2-(2-methoxyphenyl)ethyl]benzimidazol-1-yl]piperidin-1-yl]methanone
SMILESCOc1ccccc1CCc1nc2ccccc2n1C1CCN(C(=O)c2cn3ccsc3n2)CC1
InChIInChI=1S/C27H27N5O2S/c1-34-24-9-5-2-6-19(24)10-11-25-28-21-7-3-4-8-23(21)32(25)20-12-14-30(15-13-20)26(33)22-18-31-16-17-35-27(31)29-22/h2-9,16-18,20H,10-15H2,1H3
InChIKeySDHYXDJSKKEWIJ-UHFFFAOYSA-N
MW485.61 g/mol
LogP5.02
Rot. Bonds6

About imidazo[2,1-b][1,3]thiazol-6-yl-[4-[2-[2-(2-methoxyphenyl)ethyl]benzimidazol-1-yl]piperidin-1-yl]methanone

imidazo[2,1-b][1,3]thiazol-6-yl-[4-[2-[2-(2-methoxyphenyl)ethyl]benzimidazol-1-yl]piperidin-1-yl]methanone (PubChem CID 42170550) has the molecular formula C27H27N5O2S and a molecular weight of 485.61 g/mol. Its IUPAC name is imidazo[2,1-b][1,3]thiazol-6-yl-[4-[2-[2-(2-methoxyphenyl)ethyl]benzimidazol-1-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Nameimidazo[2,1-b][1,3]thiazol-6-yl-[4-[2-[2-(2-methoxyphenyl)ethyl]benzimidazol-1-yl]piperidin-1-yl]methanone
PubChem CID42170550
Molecular FormulaC27H27N5O2S
Molecular Weight485.61 g/mol
Exact Mass485.19
IUPAC Nameimidazo[2,1-b][1,3]thiazol-6-yl-[4-[2-[2-(2-methoxyphenyl)ethyl]benzimidazol-1-yl]piperidin-1-yl]methanone
SMILESCOc1ccccc1CCc1nc2ccccc2n1C1CCN(C(=O)c2cn3ccsc3n2)CC1
InChIInChI=1S/C27H27N5O2S/c1-34-24-9-5-2-6-19(24)10-11-25-28-21-7-3-4-8-23(21)32(25)20-12-14-30(15-13-20)26(33)22-18-31-16-17-35-27(31)29-22/h2-9,16-18,20H,10-15H2,1H3
InChIKeySDHYXDJSKKEWIJ-UHFFFAOYSA-N
XLogP5.02
TPSA64.66 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.61
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze imidazo[2,1-b][1,3]thiazol-6-yl-[4-[2-[2-(2-methoxyphenyl)ethyl]benzimidazol-1-yl]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 imidazo[2,1-b][1,3]thiazol-6-yl-[4-[2-[2-(2-methoxyphenyl)ethyl]benzimidazol-1-yl]piperidin-1-yl]methanone?
The IUPAC name of imidazo[2,1-b][1,3]thiazol-6-yl-[4-[2-[2-(2-methoxyphenyl)ethyl]benzimidazol-1-yl]piperidin-1-yl]methanone (CID 42170550) is imidazo[2,1-b][1,3]thiazol-6-yl-[4-[2-[2-(2-methoxyphenyl)ethyl]benzimidazol-1-yl]piperidin-1-yl]methanone.
What is the SMILES notation for imidazo[2,1-b][1,3]thiazol-6-yl-[4-[2-[2-(2-methoxyphenyl)ethyl]benzimidazol-1-yl]piperidin-1-yl]methanone?
The canonical SMILES for imidazo[2,1-b][1,3]thiazol-6-yl-[4-[2-[2-(2-methoxyphenyl)ethyl]benzimidazol-1-yl]piperidin-1-yl]methanone is COc1ccccc1CCc1nc2ccccc2n1C1CCN(C(=O)c2cn3ccsc3n2)CC1.
What is the InChIKey of imidazo[2,1-b][1,3]thiazol-6-yl-[4-[2-[2-(2-methoxyphenyl)ethyl]benzimidazol-1-yl]piperidin-1-yl]methanone?
The InChIKey is SDHYXDJSKKEWIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N5O2S/c1-34-24-9-5-2-6-19(24)10-11-25-28-21-7-3-4-8-23(21)32(25)20-12-14-30(15-13-20)26(33)22-18-31-16-17-35-27(31)29-22/h2-9,16-18,20H,10-15H2,1H3.
What are the key properties of imidazo[2,1-b][1,3]thiazol-6-yl-[4-[2-[2-(2-methoxyphenyl)ethyl]benzimidazol-1-yl]piperidin-1-yl]methanone?
imidazo[2,1-b][1,3]thiazol-6-yl-[4-[2-[2-(2-methoxyphenyl)ethyl]benzimidazol-1-yl]piperidin-1-yl]methanone has a molecular weight of 485.61 g/mol, XLogP of 5.02, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for imidazo[2,1-b][1,3]thiazol-6-yl-[4-[2-[2-(2-methoxyphenyl)ethyl]benzimidazol-1-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 42170550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).