N-[1-[2-(3-chlorophenyl)benzoyl]piperidin-3-yl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide

C25H23ClN4O2S — CID 24964473

IUPACN-[1-[2-(3-chlorophenyl)benzoyl]piperidin-3-yl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide
SMILESCc1nc2sccn2c1C(=O)NC1CCCN(C(=O)c2ccccc2-c2cccc(Cl)c2)C1
InChIInChI=1S/C25H23ClN4O2S/c1-16-22(30-12-13-33-25(30)27-16)23(31)28-19-8-5-11-29(15-19)24(32)21-10-3-2-9-20(21)17-6-4-7-18(26)14-17/h2-4,6-7,9-10,12-14,19H,5,8,11,15H2,1H3,(H,28,31)
InChIKeyIGSMYQUGSLENQY-UHFFFAOYSA-N
MW479.01 g/mol
LogP5.06
Rot. Bonds4

About N-[1-[2-(3-chlorophenyl)benzoyl]piperidin-3-yl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide

N-[1-[2-(3-chlorophenyl)benzoyl]piperidin-3-yl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide (PubChem CID 24964473) has the molecular formula C25H23ClN4O2S and a molecular weight of 479.01 g/mol. Its IUPAC name is N-[1-[2-(3-chlorophenyl)benzoyl]piperidin-3-yl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-[2-(3-chlorophenyl)benzoyl]piperidin-3-yl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide
PubChem CID24964473
Molecular FormulaC25H23ClN4O2S
Molecular Weight479.01 g/mol
Exact Mass478.12
IUPAC NameN-[1-[2-(3-chlorophenyl)benzoyl]piperidin-3-yl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide
SMILESCc1nc2sccn2c1C(=O)NC1CCCN(C(=O)c2ccccc2-c2cccc(Cl)c2)C1
InChIInChI=1S/C25H23ClN4O2S/c1-16-22(30-12-13-33-25(30)27-16)23(31)28-19-8-5-11-29(15-19)24(32)21-10-3-2-9-20(21)17-6-4-7-18(26)14-17/h2-4,6-7,9-10,12-14,19H,5,8,11,15H2,1H3,(H,28,31)
InChIKeyIGSMYQUGSLENQY-UHFFFAOYSA-N
XLogP5.06
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.01
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(3-chlorophenyl)benzoyl]piperidin-3-yl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide?
The IUPAC name of N-[1-[2-(3-chlorophenyl)benzoyl]piperidin-3-yl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide (CID 24964473) is N-[1-[2-(3-chlorophenyl)benzoyl]piperidin-3-yl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide.
What is the SMILES notation for N-[1-[2-(3-chlorophenyl)benzoyl]piperidin-3-yl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide?
The canonical SMILES for N-[1-[2-(3-chlorophenyl)benzoyl]piperidin-3-yl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide is Cc1nc2sccn2c1C(=O)NC1CCCN(C(=O)c2ccccc2-c2cccc(Cl)c2)C1.
What is the InChIKey of N-[1-[2-(3-chlorophenyl)benzoyl]piperidin-3-yl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide?
The InChIKey is IGSMYQUGSLENQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClN4O2S/c1-16-22(30-12-13-33-25(30)27-16)23(31)28-19-8-5-11-29(15-19)24(32)21-10-3-2-9-20(21)17-6-4-7-18(26)14-17/h2-4,6-7,9-10,12-14,19H,5,8,11,15H2,1H3,(H,28,31).
What are the key properties of N-[1-[2-(3-chlorophenyl)benzoyl]piperidin-3-yl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide?
N-[1-[2-(3-chlorophenyl)benzoyl]piperidin-3-yl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide has a molecular weight of 479.01 g/mol, XLogP of 5.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(3-chlorophenyl)benzoyl]piperidin-3-yl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide is sourced from PubChem (CID 24964473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).