2,6-dimethyl-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide

C15H13N3OS — CID 2574433

IUPAC2,6-dimethyl-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide
SMILESCc1ccc2nc(C)cc(C(=O)Nc3nccs3)c2c1
InChIInChI=1S/C15H13N3OS/c1-9-3-4-13-11(7-9)12(8-10(2)17-13)14(19)18-15-16-5-6-20-15/h3-8H,1-2H3,(H,16,18,19)
InChIKeyPAOOIGSEYOASMY-UHFFFAOYSA-N
MW283.36 g/mol
LogP3.56
Rot. Bonds2

About 2,6-dimethyl-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide

2,6-dimethyl-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide (PubChem CID 2574433) has the molecular formula C15H13N3OS and a molecular weight of 283.36 g/mol. Its IUPAC name is 2,6-dimethyl-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2,6-dimethyl-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide
PubChem CID2574433
Molecular FormulaC15H13N3OS
Molecular Weight283.36 g/mol
Exact Mass283.08
IUPAC Name2,6-dimethyl-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide
SMILESCc1ccc2nc(C)cc(C(=O)Nc3nccs3)c2c1
InChIInChI=1S/C15H13N3OS/c1-9-3-4-13-11(7-9)12(8-10(2)17-13)14(19)18-15-16-5-6-20-15/h3-8H,1-2H3,(H,16,18,19)
InChIKeyPAOOIGSEYOASMY-UHFFFAOYSA-N
XLogP3.56
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.36
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2,6-dimethyl-N-(1,3-thiazol-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 2,6-dimethyl-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide?
The IUPAC name of 2,6-dimethyl-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide (CID 2574433) is 2,6-dimethyl-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide.
What is the SMILES notation for 2,6-dimethyl-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide?
The canonical SMILES for 2,6-dimethyl-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide is Cc1ccc2nc(C)cc(C(=O)Nc3nccs3)c2c1.
What is the InChIKey of 2,6-dimethyl-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide?
The InChIKey is PAOOIGSEYOASMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3OS/c1-9-3-4-13-11(7-9)12(8-10(2)17-13)14(19)18-15-16-5-6-20-15/h3-8H,1-2H3,(H,16,18,19).
What are the key properties of 2,6-dimethyl-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide?
2,6-dimethyl-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide has a molecular weight of 283.36 g/mol, XLogP of 3.56, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide is sourced from PubChem (CID 2574433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).