[5-[[3-(2-chlorophenyl)pyrrolidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-piperidin-1-ylmethanone

C22H25ClN4OS — CID 45178972

IUPAC[5-[[3-(2-chlorophenyl)pyrrolidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-piperidin-1-ylmethanone
SMILESO=C(c1nc2sccn2c1CN1CCC(c2ccccc2Cl)C1)N1CCCCC1
InChIInChI=1S/C22H25ClN4OS/c23-18-7-3-2-6-17(18)16-8-11-25(14-16)15-19-20(24-22-27(19)12-13-29-22)21(28)26-9-4-1-5-10-26/h2-3,6-7,12-13,16H,1,4-5,8-11,14-15H2
InChIKeySBRZOABCDOZADF-UHFFFAOYSA-N
MW428.99 g/mol
LogP4.66
Rot. Bonds4

About [5-[[3-(2-chlorophenyl)pyrrolidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-piperidin-1-ylmethanone

[5-[[3-(2-chlorophenyl)pyrrolidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-piperidin-1-ylmethanone (PubChem CID 45178972) has the molecular formula C22H25ClN4OS and a molecular weight of 428.99 g/mol. Its IUPAC name is [5-[[3-(2-chlorophenyl)pyrrolidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[5-[[3-(2-chlorophenyl)pyrrolidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-piperidin-1-ylmethanone
PubChem CID45178972
Molecular FormulaC22H25ClN4OS
Molecular Weight428.99 g/mol
Exact Mass428.14
IUPAC Name[5-[[3-(2-chlorophenyl)pyrrolidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-piperidin-1-ylmethanone
SMILESO=C(c1nc2sccn2c1CN1CCC(c2ccccc2Cl)C1)N1CCCCC1
InChIInChI=1S/C22H25ClN4OS/c23-18-7-3-2-6-17(18)16-8-11-25(14-16)15-19-20(24-22-27(19)12-13-29-22)21(28)26-9-4-1-5-10-26/h2-3,6-7,12-13,16H,1,4-5,8-11,14-15H2
InChIKeySBRZOABCDOZADF-UHFFFAOYSA-N
XLogP4.66
TPSA40.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.99
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [5-[[3-(2-chlorophenyl)pyrrolidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-piperidin-1-ylmethanone 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 [5-[[3-(2-chlorophenyl)pyrrolidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-piperidin-1-ylmethanone?
The IUPAC name of [5-[[3-(2-chlorophenyl)pyrrolidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-piperidin-1-ylmethanone (CID 45178972) is [5-[[3-(2-chlorophenyl)pyrrolidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [5-[[3-(2-chlorophenyl)pyrrolidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [5-[[3-(2-chlorophenyl)pyrrolidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-piperidin-1-ylmethanone is O=C(c1nc2sccn2c1CN1CCC(c2ccccc2Cl)C1)N1CCCCC1.
What is the InChIKey of [5-[[3-(2-chlorophenyl)pyrrolidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-piperidin-1-ylmethanone?
The InChIKey is SBRZOABCDOZADF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN4OS/c23-18-7-3-2-6-17(18)16-8-11-25(14-16)15-19-20(24-22-27(19)12-13-29-22)21(28)26-9-4-1-5-10-26/h2-3,6-7,12-13,16H,1,4-5,8-11,14-15H2.
What are the key properties of [5-[[3-(2-chlorophenyl)pyrrolidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-piperidin-1-ylmethanone?
[5-[[3-(2-chlorophenyl)pyrrolidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-piperidin-1-ylmethanone has a molecular weight of 428.99 g/mol, XLogP of 4.66, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[3-(2-chlorophenyl)pyrrolidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 45178972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).