N-[4-cyano-3-(1,3-thiazol-4-yl)thiophen-2-yl]-2-[2-oxo-6-(trifluoromethyl)quinolin-1-yl]acetamide

C20H11F3N4O2S2 — CID 56665093

IUPACN-[4-cyano-3-(1,3-thiazol-4-yl)thiophen-2-yl]-2-[2-oxo-6-(trifluoromethyl)quinolin-1-yl]acetamide
SMILESN#Cc1csc(NC(=O)Cn2c(=O)ccc3cc(C(F)(F)F)ccc32)c1-c1cscn1
InChIInChI=1S/C20H11F3N4O2S2/c21-20(22,23)13-2-3-15-11(5-13)1-4-17(29)27(15)7-16(28)26-19-18(12(6-24)8-31-19)14-9-30-10-25-14/h1-5,8-10H,7H2,(H,26,28)
InChIKeyIRABIGXKJCMNIG-UHFFFAOYSA-N
MW460.46 g/mol
LogP4.72
Rot. Bonds4

About N-[4-cyano-3-(1,3-thiazol-4-yl)thiophen-2-yl]-2-[2-oxo-6-(trifluoromethyl)quinolin-1-yl]acetamide

N-[4-cyano-3-(1,3-thiazol-4-yl)thiophen-2-yl]-2-[2-oxo-6-(trifluoromethyl)quinolin-1-yl]acetamide (PubChem CID 56665093) has the molecular formula C20H11F3N4O2S2 and a molecular weight of 460.46 g/mol. Its IUPAC name is N-[4-cyano-3-(1,3-thiazol-4-yl)thiophen-2-yl]-2-[2-oxo-6-(trifluoromethyl)quinolin-1-yl]acetamide.

Molecular Properties

Compound NameN-[4-cyano-3-(1,3-thiazol-4-yl)thiophen-2-yl]-2-[2-oxo-6-(trifluoromethyl)quinolin-1-yl]acetamide
PubChem CID56665093
Molecular FormulaC20H11F3N4O2S2
Molecular Weight460.46 g/mol
Exact Mass460.03
IUPAC NameN-[4-cyano-3-(1,3-thiazol-4-yl)thiophen-2-yl]-2-[2-oxo-6-(trifluoromethyl)quinolin-1-yl]acetamide
SMILESN#Cc1csc(NC(=O)Cn2c(=O)ccc3cc(C(F)(F)F)ccc32)c1-c1cscn1
InChIInChI=1S/C20H11F3N4O2S2/c21-20(22,23)13-2-3-15-11(5-13)1-4-17(29)27(15)7-16(28)26-19-18(12(6-24)8-31-19)14-9-30-10-25-14/h1-5,8-10H,7H2,(H,26,28)
InChIKeyIRABIGXKJCMNIG-UHFFFAOYSA-N
XLogP4.72
TPSA87.78 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.46
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[4-cyano-3-(1,3-thiazol-4-yl)thiophen-2-yl]-2-[2-oxo-6-(trifluoromethyl)quinolin-1-yl]acetamide 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-cyano-3-(1,3-thiazol-4-yl)thiophen-2-yl]-2-[2-oxo-6-(trifluoromethyl)quinolin-1-yl]acetamide?
The IUPAC name of N-[4-cyano-3-(1,3-thiazol-4-yl)thiophen-2-yl]-2-[2-oxo-6-(trifluoromethyl)quinolin-1-yl]acetamide (CID 56665093) is N-[4-cyano-3-(1,3-thiazol-4-yl)thiophen-2-yl]-2-[2-oxo-6-(trifluoromethyl)quinolin-1-yl]acetamide.
What is the SMILES notation for N-[4-cyano-3-(1,3-thiazol-4-yl)thiophen-2-yl]-2-[2-oxo-6-(trifluoromethyl)quinolin-1-yl]acetamide?
The canonical SMILES for N-[4-cyano-3-(1,3-thiazol-4-yl)thiophen-2-yl]-2-[2-oxo-6-(trifluoromethyl)quinolin-1-yl]acetamide is N#Cc1csc(NC(=O)Cn2c(=O)ccc3cc(C(F)(F)F)ccc32)c1-c1cscn1.
What is the InChIKey of N-[4-cyano-3-(1,3-thiazol-4-yl)thiophen-2-yl]-2-[2-oxo-6-(trifluoromethyl)quinolin-1-yl]acetamide?
The InChIKey is IRABIGXKJCMNIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11F3N4O2S2/c21-20(22,23)13-2-3-15-11(5-13)1-4-17(29)27(15)7-16(28)26-19-18(12(6-24)8-31-19)14-9-30-10-25-14/h1-5,8-10H,7H2,(H,26,28).
What are the key properties of N-[4-cyano-3-(1,3-thiazol-4-yl)thiophen-2-yl]-2-[2-oxo-6-(trifluoromethyl)quinolin-1-yl]acetamide?
N-[4-cyano-3-(1,3-thiazol-4-yl)thiophen-2-yl]-2-[2-oxo-6-(trifluoromethyl)quinolin-1-yl]acetamide has a molecular weight of 460.46 g/mol, XLogP of 4.72, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-cyano-3-(1,3-thiazol-4-yl)thiophen-2-yl]-2-[2-oxo-6-(trifluoromethyl)quinolin-1-yl]acetamide is sourced from PubChem (CID 56665093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).