N-(1-benzylpiperidin-4-yl)-6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide

C24H23ClN4OS — CID 44525186

IUPACN-(1-benzylpiperidin-4-yl)-6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
SMILESO=C(NC1CCN(Cc2ccccc2)CC1)c1csc2nc(-c3ccc(Cl)cc3)cn12
InChIInChI=1S/C24H23ClN4OS/c25-19-8-6-18(7-9-19)21-15-29-22(16-31-24(29)27-21)23(30)26-20-10-12-28(13-11-20)14-17-4-2-1-3-5-17/h1-9,15-16,20H,10-14H2,(H,26,30)
InChIKeyKTWQINRFKKSSQE-UHFFFAOYSA-N
MW451.00 g/mol
LogP5.11
Rot. Bonds5

About N-(1-benzylpiperidin-4-yl)-6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide

N-(1-benzylpiperidin-4-yl)-6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide (PubChem CID 44525186) has the molecular formula C24H23ClN4OS and a molecular weight of 451.00 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
PubChem CID44525186
Molecular FormulaC24H23ClN4OS
Molecular Weight451.00 g/mol
Exact Mass450.13
IUPAC NameN-(1-benzylpiperidin-4-yl)-6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
SMILESO=C(NC1CCN(Cc2ccccc2)CC1)c1csc2nc(-c3ccc(Cl)cc3)cn12
InChIInChI=1S/C24H23ClN4OS/c25-19-8-6-18(7-9-19)21-15-29-22(16-31-24(29)27-21)23(30)26-20-10-12-28(13-11-20)14-17-4-2-1-3-5-17/h1-9,15-16,20H,10-14H2,(H,26,30)
InChIKeyKTWQINRFKKSSQE-UHFFFAOYSA-N
XLogP5.11
TPSA49.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.00
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide (CID 44525186) is N-(1-benzylpiperidin-4-yl)-6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide is O=C(NC1CCN(Cc2ccccc2)CC1)c1csc2nc(-c3ccc(Cl)cc3)cn12.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide?
The InChIKey is KTWQINRFKKSSQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN4OS/c25-19-8-6-18(7-9-19)21-15-29-22(16-31-24(29)27-21)23(30)26-20-10-12-28(13-11-20)14-17-4-2-1-3-5-17/h1-9,15-16,20H,10-14H2,(H,26,30).
What are the key properties of N-(1-benzylpiperidin-4-yl)-6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide?
N-(1-benzylpiperidin-4-yl)-6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide has a molecular weight of 451.00 g/mol, XLogP of 5.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide is sourced from PubChem (CID 44525186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).