N-[[1-(2-methyl-4-phenyl-1,3-thiazole-5-carbonyl)piperidin-2-yl]methyl]quinoline-8-carboxamide

C27H26N4O2S — CID 70683740

IUPACN-[[1-(2-methyl-4-phenyl-1,3-thiazole-5-carbonyl)piperidin-2-yl]methyl]quinoline-8-carboxamide
SMILESCc1nc(-c2ccccc2)c(C(=O)N2CCCCC2CNC(=O)c2cccc3cccnc23)s1
InChIInChI=1S/C27H26N4O2S/c1-18-30-24(20-9-3-2-4-10-20)25(34-18)27(33)31-16-6-5-13-21(31)17-29-26(32)22-14-7-11-19-12-8-15-28-23(19)22/h2-4,7-12,14-15,21H,5-6,13,16-17H2,1H3,(H,29,32)
InChIKeyIFPSLMURKPCEEU-UHFFFAOYSA-N
MW470.60 g/mol
LogP5.09
Rot. Bonds5

About N-[[1-(2-methyl-4-phenyl-1,3-thiazole-5-carbonyl)piperidin-2-yl]methyl]quinoline-8-carboxamide

N-[[1-(2-methyl-4-phenyl-1,3-thiazole-5-carbonyl)piperidin-2-yl]methyl]quinoline-8-carboxamide (PubChem CID 70683740) has the molecular formula C27H26N4O2S and a molecular weight of 470.60 g/mol. Its IUPAC name is N-[[1-(2-methyl-4-phenyl-1,3-thiazole-5-carbonyl)piperidin-2-yl]methyl]quinoline-8-carboxamide.

Molecular Properties

Compound NameN-[[1-(2-methyl-4-phenyl-1,3-thiazole-5-carbonyl)piperidin-2-yl]methyl]quinoline-8-carboxamide
PubChem CID70683740
Molecular FormulaC27H26N4O2S
Molecular Weight470.60 g/mol
Exact Mass470.18
IUPAC NameN-[[1-(2-methyl-4-phenyl-1,3-thiazole-5-carbonyl)piperidin-2-yl]methyl]quinoline-8-carboxamide
SMILESCc1nc(-c2ccccc2)c(C(=O)N2CCCCC2CNC(=O)c2cccc3cccnc23)s1
InChIInChI=1S/C27H26N4O2S/c1-18-30-24(20-9-3-2-4-10-20)25(34-18)27(33)31-16-6-5-13-21(31)17-29-26(32)22-14-7-11-19-12-8-15-28-23(19)22/h2-4,7-12,14-15,21H,5-6,13,16-17H2,1H3,(H,29,32)
InChIKeyIFPSLMURKPCEEU-UHFFFAOYSA-N
XLogP5.09
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.60
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[1-(2-methyl-4-phenyl-1,3-thiazole-5-carbonyl)piperidin-2-yl]methyl]quinoline-8-carboxamide 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 N-[[1-(2-methyl-4-phenyl-1,3-thiazole-5-carbonyl)piperidin-2-yl]methyl]quinoline-8-carboxamide?
The IUPAC name of N-[[1-(2-methyl-4-phenyl-1,3-thiazole-5-carbonyl)piperidin-2-yl]methyl]quinoline-8-carboxamide (CID 70683740) is N-[[1-(2-methyl-4-phenyl-1,3-thiazole-5-carbonyl)piperidin-2-yl]methyl]quinoline-8-carboxamide.
What is the SMILES notation for N-[[1-(2-methyl-4-phenyl-1,3-thiazole-5-carbonyl)piperidin-2-yl]methyl]quinoline-8-carboxamide?
The canonical SMILES for N-[[1-(2-methyl-4-phenyl-1,3-thiazole-5-carbonyl)piperidin-2-yl]methyl]quinoline-8-carboxamide is Cc1nc(-c2ccccc2)c(C(=O)N2CCCCC2CNC(=O)c2cccc3cccnc23)s1.
What is the InChIKey of N-[[1-(2-methyl-4-phenyl-1,3-thiazole-5-carbonyl)piperidin-2-yl]methyl]quinoline-8-carboxamide?
The InChIKey is IFPSLMURKPCEEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N4O2S/c1-18-30-24(20-9-3-2-4-10-20)25(34-18)27(33)31-16-6-5-13-21(31)17-29-26(32)22-14-7-11-19-12-8-15-28-23(19)22/h2-4,7-12,14-15,21H,5-6,13,16-17H2,1H3,(H,29,32).
What are the key properties of N-[[1-(2-methyl-4-phenyl-1,3-thiazole-5-carbonyl)piperidin-2-yl]methyl]quinoline-8-carboxamide?
N-[[1-(2-methyl-4-phenyl-1,3-thiazole-5-carbonyl)piperidin-2-yl]methyl]quinoline-8-carboxamide has a molecular weight of 470.60 g/mol, XLogP of 5.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-methyl-4-phenyl-1,3-thiazole-5-carbonyl)piperidin-2-yl]methyl]quinoline-8-carboxamide is sourced from PubChem (CID 70683740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).