2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]quinoline-4-carbonitrile

C14H10N4OS — CID 106381406

IUPAC2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]quinoline-4-carbonitrile
SMILESN#Cc1cc(NCc2csc(=O)[nH]2)nc2ccccc12
InChIInChI=1S/C14H10N4OS/c15-6-9-5-13(16-7-10-8-20-14(19)17-10)18-12-4-2-1-3-11(9)12/h1-5,8H,7H2,(H,16,18)(H,17,19)
InChIKeyFGBDHPHZAGCYCT-UHFFFAOYSA-N
MW282.33 g/mol
LogP2.47
Rot. Bonds3

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

2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]quinoline-4-carbonitrile (PubChem CID 106381406) has the molecular formula C14H10N4OS and a molecular weight of 282.33 g/mol. Its IUPAC name is 2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]quinoline-4-carbonitrile.

Molecular Properties

Compound Name2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]quinoline-4-carbonitrile
PubChem CID106381406
Molecular FormulaC14H10N4OS
Molecular Weight282.33 g/mol
Exact Mass282.06
IUPAC Name2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]quinoline-4-carbonitrile
SMILESN#Cc1cc(NCc2csc(=O)[nH]2)nc2ccccc12
InChIInChI=1S/C14H10N4OS/c15-6-9-5-13(16-7-10-8-20-14(19)17-10)18-12-4-2-1-3-11(9)12/h1-5,8H,7H2,(H,16,18)(H,17,19)
InChIKeyFGBDHPHZAGCYCT-UHFFFAOYSA-N
XLogP2.47
TPSA81.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.33
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[(2-oxo-3H-1,3-thiazol-4-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

Related Compounds

2-[(4-cyanoquinolin-2-yl)amino]acetamide
CID 63883869
2-(3-methylsulfinylpropylamino)quinoline-4-carbonitrile
CID 115637217
6-methyl-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]pyridine-3-carbonitrile
CID 114181486
3-nitro-6-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]pyridine-2-carbonitrile
CID 106382248
2-[(2-methyl-1,3-thiazol-5-yl)methylamino]quinoline-4-carbonitrile
CID 63885433
4-[(quinolin-4-ylamino)methyl]-3H-1,3-thiazol-2-one
CID 114181570
2-(2,3,3-trimethylbutylamino)quinoline-4-carbonitrile
CID 83142408
4-[[(6-chloro-2-pyridinyl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106383027
2-anilinoquinoline-4-carbonitrile
CID 63884486
4-[[[2-ethyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]-3H-1,3-thiazol-2-one
CID 114181854
2-[(2,2,3,3-tetramethylcyclopropyl)methylamino]quinoline-4-carbonitrile
CID 79361457
1-[[(4-cyanoquinolin-2-yl)amino]methyl]cyclopropane-1-carboxylic acid
CID 115450530

Frequently Asked Questions

What is the IUPAC name of 2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]quinoline-4-carbonitrile?
The IUPAC name of 2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]quinoline-4-carbonitrile (CID 106381406) is 2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]quinoline-4-carbonitrile.
What is the SMILES notation for 2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]quinoline-4-carbonitrile?
The canonical SMILES for 2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]quinoline-4-carbonitrile is N#Cc1cc(NCc2csc(=O)[nH]2)nc2ccccc12.
What is the InChIKey of 2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]quinoline-4-carbonitrile?
The InChIKey is FGBDHPHZAGCYCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4OS/c15-6-9-5-13(16-7-10-8-20-14(19)17-10)18-12-4-2-1-3-11(9)12/h1-5,8H,7H2,(H,16,18)(H,17,19).
What are the key properties of 2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]quinoline-4-carbonitrile?
2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]quinoline-4-carbonitrile has a molecular weight of 282.33 g/mol, XLogP of 2.47, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]quinoline-4-carbonitrile is sourced from PubChem (CID 106381406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).