2-[(2-methyl-1,3-thiazol-5-yl)methylamino]quinoline-4-carbonitrile

C15H12N4S — CID 63885433

IUPAC2-[(2-methyl-1,3-thiazol-5-yl)methylamino]quinoline-4-carbonitrile
SMILESCc1ncc(CNc2cc(C#N)c3ccccc3n2)s1
InChIInChI=1S/C15H12N4S/c1-10-17-8-12(20-10)9-18-15-6-11(7-16)13-4-2-3-5-14(13)19-15/h2-6,8H,9H2,1H3,(H,18,19)
InChIKeyVEOPNBAXZGRSDQ-UHFFFAOYSA-N
MW280.36 g/mol
LogP3.48
Rot. Bonds3

About 2-[(2-methyl-1,3-thiazol-5-yl)methylamino]quinoline-4-carbonitrile

2-[(2-methyl-1,3-thiazol-5-yl)methylamino]quinoline-4-carbonitrile (PubChem CID 63885433) has the molecular formula C15H12N4S and a molecular weight of 280.36 g/mol. Its IUPAC name is 2-[(2-methyl-1,3-thiazol-5-yl)methylamino]quinoline-4-carbonitrile.

Molecular Properties

Compound Name2-[(2-methyl-1,3-thiazol-5-yl)methylamino]quinoline-4-carbonitrile
PubChem CID63885433
Molecular FormulaC15H12N4S
Molecular Weight280.36 g/mol
Exact Mass280.08
IUPAC Name2-[(2-methyl-1,3-thiazol-5-yl)methylamino]quinoline-4-carbonitrile
SMILESCc1ncc(CNc2cc(C#N)c3ccccc3n2)s1
InChIInChI=1S/C15H12N4S/c1-10-17-8-12(20-10)9-18-15-6-11(7-16)13-4-2-3-5-14(13)19-15/h2-6,8H,9H2,1H3,(H,18,19)
InChIKeyVEOPNBAXZGRSDQ-UHFFFAOYSA-N
XLogP3.48
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.36
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(2-methyl-1,3-thiazol-5-yl)methylamino]quinoline-4-carbonitrile 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-[(2-methyl-1,3-thiazol-5-yl)methylamino]quinoline-4-carbonitrile?
The IUPAC name of 2-[(2-methyl-1,3-thiazol-5-yl)methylamino]quinoline-4-carbonitrile (CID 63885433) is 2-[(2-methyl-1,3-thiazol-5-yl)methylamino]quinoline-4-carbonitrile.
What is the SMILES notation for 2-[(2-methyl-1,3-thiazol-5-yl)methylamino]quinoline-4-carbonitrile?
The canonical SMILES for 2-[(2-methyl-1,3-thiazol-5-yl)methylamino]quinoline-4-carbonitrile is Cc1ncc(CNc2cc(C#N)c3ccccc3n2)s1.
What is the InChIKey of 2-[(2-methyl-1,3-thiazol-5-yl)methylamino]quinoline-4-carbonitrile?
The InChIKey is VEOPNBAXZGRSDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4S/c1-10-17-8-12(20-10)9-18-15-6-11(7-16)13-4-2-3-5-14(13)19-15/h2-6,8H,9H2,1H3,(H,18,19).
What are the key properties of 2-[(2-methyl-1,3-thiazol-5-yl)methylamino]quinoline-4-carbonitrile?
2-[(2-methyl-1,3-thiazol-5-yl)methylamino]quinoline-4-carbonitrile has a molecular weight of 280.36 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methyl-1,3-thiazol-5-yl)methylamino]quinoline-4-carbonitrile is sourced from PubChem (CID 63885433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).