N-[1-(3-cyano-1-methyl-2-oxoquinolin-4-yl)piperidin-4-yl]-2-fluoro-1,3-thiazole-5-carboxamide

C20H18FN5O2S — CID 66558043

IUPACN-[1-(3-cyano-1-methyl-2-oxoquinolin-4-yl)piperidin-4-yl]-2-fluoro-1,3-thiazole-5-carboxamide
SMILESCn1c(=O)c(C#N)c(N2CCC(NC(=O)c3cnc(F)s3)CC2)c2ccccc21
InChIInChI=1S/C20H18FN5O2S/c1-25-15-5-3-2-4-13(15)17(14(10-22)19(25)28)26-8-6-12(7-9-26)24-18(27)16-11-23-20(21)29-16/h2-5,11-12H,6-9H2,1H3,(H,24,27)
InChIKeyFIFRBEMCYGJDLC-UHFFFAOYSA-N
MW411.46 g/mol
LogP2.40
Rot. Bonds3

About N-[1-(3-cyano-1-methyl-2-oxoquinolin-4-yl)piperidin-4-yl]-2-fluoro-1,3-thiazole-5-carboxamide

N-[1-(3-cyano-1-methyl-2-oxoquinolin-4-yl)piperidin-4-yl]-2-fluoro-1,3-thiazole-5-carboxamide (PubChem CID 66558043) has the molecular formula C20H18FN5O2S and a molecular weight of 411.46 g/mol. Its IUPAC name is N-[1-(3-cyano-1-methyl-2-oxoquinolin-4-yl)piperidin-4-yl]-2-fluoro-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-(3-cyano-1-methyl-2-oxoquinolin-4-yl)piperidin-4-yl]-2-fluoro-1,3-thiazole-5-carboxamide
PubChem CID66558043
Molecular FormulaC20H18FN5O2S
Molecular Weight411.46 g/mol
Exact Mass411.12
IUPAC NameN-[1-(3-cyano-1-methyl-2-oxoquinolin-4-yl)piperidin-4-yl]-2-fluoro-1,3-thiazole-5-carboxamide
SMILESCn1c(=O)c(C#N)c(N2CCC(NC(=O)c3cnc(F)s3)CC2)c2ccccc21
InChIInChI=1S/C20H18FN5O2S/c1-25-15-5-3-2-4-13(15)17(14(10-22)19(25)28)26-8-6-12(7-9-26)24-18(27)16-11-23-20(21)29-16/h2-5,11-12H,6-9H2,1H3,(H,24,27)
InChIKeyFIFRBEMCYGJDLC-UHFFFAOYSA-N
XLogP2.40
TPSA91.02 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.46
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[1-(3-cyano-1-methyl-2-oxoquinolin-4-yl)piperidin-4-yl]-2-fluoro-1,3-thiazole-5-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-(3-cyano-1-methyl-2-oxoquinolin-4-yl)piperidin-4-yl]-2-fluoro-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[1-(3-cyano-1-methyl-2-oxoquinolin-4-yl)piperidin-4-yl]-2-fluoro-1,3-thiazole-5-carboxamide (CID 66558043) is N-[1-(3-cyano-1-methyl-2-oxoquinolin-4-yl)piperidin-4-yl]-2-fluoro-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[1-(3-cyano-1-methyl-2-oxoquinolin-4-yl)piperidin-4-yl]-2-fluoro-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[1-(3-cyano-1-methyl-2-oxoquinolin-4-yl)piperidin-4-yl]-2-fluoro-1,3-thiazole-5-carboxamide is Cn1c(=O)c(C#N)c(N2CCC(NC(=O)c3cnc(F)s3)CC2)c2ccccc21.
What is the InChIKey of N-[1-(3-cyano-1-methyl-2-oxoquinolin-4-yl)piperidin-4-yl]-2-fluoro-1,3-thiazole-5-carboxamide?
The InChIKey is FIFRBEMCYGJDLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN5O2S/c1-25-15-5-3-2-4-13(15)17(14(10-22)19(25)28)26-8-6-12(7-9-26)24-18(27)16-11-23-20(21)29-16/h2-5,11-12H,6-9H2,1H3,(H,24,27).
What are the key properties of N-[1-(3-cyano-1-methyl-2-oxoquinolin-4-yl)piperidin-4-yl]-2-fluoro-1,3-thiazole-5-carboxamide?
N-[1-(3-cyano-1-methyl-2-oxoquinolin-4-yl)piperidin-4-yl]-2-fluoro-1,3-thiazole-5-carboxamide has a molecular weight of 411.46 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-cyano-1-methyl-2-oxoquinolin-4-yl)piperidin-4-yl]-2-fluoro-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 66558043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).