2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]quinoline-4-carboximidamide

C15H14N4OS — CID 106922857

IUPAC2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]quinoline-4-carboximidamide
SMILES[H]/N=C(\N)c1cc(Sc2nc(C)c(C)o2)nc2ccccc12
InChIInChI=1S/C15H14N4OS/c1-8-9(2)20-15(18-8)21-13-7-11(14(16)17)10-5-3-4-6-12(10)19-13/h3-7H,1-2H3,(H3,16,17)
InChIKeyIMEHPBIWLKHTCG-UHFFFAOYSA-N
MW298.37 g/mol
LogP3.27
Rot. Bonds3

About 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]quinoline-4-carboximidamide

2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]quinoline-4-carboximidamide (PubChem CID 106922857) has the molecular formula C15H14N4OS and a molecular weight of 298.37 g/mol. Its IUPAC name is 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]quinoline-4-carboximidamide.

Molecular Properties

Compound Name2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]quinoline-4-carboximidamide
PubChem CID106922857
Molecular FormulaC15H14N4OS
Molecular Weight298.37 g/mol
Exact Mass298.09
IUPAC Name2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]quinoline-4-carboximidamide
SMILES[H]/N=C(\N)c1cc(Sc2nc(C)c(C)o2)nc2ccccc12
InChIInChI=1S/C15H14N4OS/c1-8-9(2)20-15(18-8)21-13-7-11(14(16)17)10-5-3-4-6-12(10)19-13/h3-7H,1-2H3,(H3,16,17)
InChIKeyIMEHPBIWLKHTCG-UHFFFAOYSA-N
XLogP3.27
TPSA88.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-[(4,5-Dimethyl-1,3-oxazol-2-yl)sulfanyl]-6-(trifluoromethyl)pyridine-3-carboximidamide
CID 106922875
4,5-Dimethyl-2-(4-methylphthalazin-1-yl)sulfanyl-1,3-oxazole
CID 24656800
N-(acridin-9-yl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetamide
CID 28405112
2-[(2-Chloroquinolin-3-yl)methylsulfanyl]-4,5-dimethyl-1,3-oxazole
CID 103607415
2-Methyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]quinolin-6-amine
CID 106921501
2-[(4-Methyl-1,3-oxazol-2-yl)sulfanyl]quinolin-6-amine
CID 106921574
4-[(4,5-Dimethyl-1,3-oxazol-2-yl)sulfanyl]quinolin-8-amine
CID 106921630
4-[(4,5-Dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-methylquinolin-6-amine
CID 106921653
4-[(4,5-Dimethyl-1,3-oxazol-2-yl)sulfanyl]quinolin-7-amine
CID 106921720
2-[(4,5-Dimethyl-1,3-oxazol-2-yl)sulfanyl]quinolin-6-amine
CID 106921725
4-[(4,5-Dimethyl-1,3-oxazol-2-yl)sulfanyl]quinolin-3-amine
CID 106921742
2-[(4-Methyl-1,3-oxazol-2-yl)sulfanyl]quinoline-3-carbonitrile
CID 106922402

Frequently Asked Questions

What is the IUPAC name of 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]quinoline-4-carboximidamide?
The IUPAC name of 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]quinoline-4-carboximidamide (CID 106922857) is 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]quinoline-4-carboximidamide.
What is the SMILES notation for 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]quinoline-4-carboximidamide?
The canonical SMILES for 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]quinoline-4-carboximidamide is [H]/N=C(\N)c1cc(Sc2nc(C)c(C)o2)nc2ccccc12.
What is the InChIKey of 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]quinoline-4-carboximidamide?
The InChIKey is IMEHPBIWLKHTCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4OS/c1-8-9(2)20-15(18-8)21-13-7-11(14(16)17)10-5-3-4-6-12(10)19-13/h3-7H,1-2H3,(H3,16,17).
What are the key properties of 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]quinoline-4-carboximidamide?
2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]quinoline-4-carboximidamide has a molecular weight of 298.37 g/mol, XLogP of 3.27, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]quinoline-4-carboximidamide is sourced from PubChem (CID 106922857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).