N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide

C24H16FN3OS2 — CID 1023222

IUPACN-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide
SMILESCc1ccc(-c2cc(C(=O)Nc3nc(-c4ccc(F)cc4)cs3)c3ccccc3n2)s1
InChIInChI=1S/C24H16FN3OS2/c1-14-6-11-22(31-14)20-12-18(17-4-2-3-5-19(17)26-20)23(29)28-24-27-21(13-30-24)15-7-9-16(25)10-8-15/h2-13H,1H3,(H,27,28,29)
InChIKeyALEUFDCAMILOPT-UHFFFAOYSA-N
MW445.54 g/mol
LogP6.79
Rot. Bonds4

About N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide

N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide (PubChem CID 1023222) has the molecular formula C24H16FN3OS2 and a molecular weight of 445.54 g/mol. Its IUPAC name is N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide
PubChem CID1023222
Molecular FormulaC24H16FN3OS2
Molecular Weight445.54 g/mol
Exact Mass445.07
IUPAC NameN-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide
SMILESCc1ccc(-c2cc(C(=O)Nc3nc(-c4ccc(F)cc4)cs3)c3ccccc3n2)s1
InChIInChI=1S/C24H16FN3OS2/c1-14-6-11-22(31-14)20-12-18(17-4-2-3-5-19(17)26-20)23(29)28-24-27-21(13-30-24)15-7-9-16(25)10-8-15/h2-13H,1H3,(H,27,28,29)
InChIKeyALEUFDCAMILOPT-UHFFFAOYSA-N
XLogP6.79
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.54
LogP ≤ 56.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(5-methylthiophen-2-yl)quinoline-4-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-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide?
The IUPAC name of N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide (CID 1023222) is N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide.
What is the SMILES notation for N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide?
The canonical SMILES for N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide is Cc1ccc(-c2cc(C(=O)Nc3nc(-c4ccc(F)cc4)cs3)c3ccccc3n2)s1.
What is the InChIKey of N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide?
The InChIKey is ALEUFDCAMILOPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16FN3OS2/c1-14-6-11-22(31-14)20-12-18(17-4-2-3-5-19(17)26-20)23(29)28-24-27-21(13-30-24)15-7-9-16(25)10-8-15/h2-13H,1H3,(H,27,28,29).
What are the key properties of N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide?
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide has a molecular weight of 445.54 g/mol, XLogP of 6.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide is sourced from PubChem (CID 1023222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).