4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-methylquinolin-6-amine

C15H15N3OS — CID 106921653

IUPAC4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-methylquinolin-6-amine
SMILESCc1cc(Sc2nc(C)c(C)o2)c2cc(N)ccc2n1
InChIInChI=1S/C15H15N3OS/c1-8-6-14(20-15-18-9(2)10(3)19-15)12-7-11(16)4-5-13(12)17-8/h4-7H,16H2,1-3H3
InChIKeyZDBHXWXGKBMBHQ-UHFFFAOYSA-N
MW285.37 g/mol
LogP3.88
Rot. Bonds2

About 4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-methylquinolin-6-amine

4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-methylquinolin-6-amine (PubChem CID 106921653) has the molecular formula C15H15N3OS and a molecular weight of 285.37 g/mol. Its IUPAC name is 4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-methylquinolin-6-amine.

Molecular Properties

Compound Name4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-methylquinolin-6-amine
PubChem CID106921653
Molecular FormulaC15H15N3OS
Molecular Weight285.37 g/mol
Exact Mass285.09
IUPAC Name4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-methylquinolin-6-amine
SMILESCc1cc(Sc2nc(C)c(C)o2)c2cc(N)ccc2n1
InChIInChI=1S/C15H15N3OS/c1-8-6-14(20-15-18-9(2)10(3)19-15)12-7-11(16)4-5-13(12)17-8/h4-7H,16H2,1-3H3
InChIKeyZDBHXWXGKBMBHQ-UHFFFAOYSA-N
XLogP3.88
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-methylquinolin-6-amine with MolForge

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Launch Full Analysis

Related Compounds

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-(1,3-Oxazol-2-ylsulfanyl)quinolin-6-amine
CID 106921414
4-[(4-Methyl-1,3-oxazol-2-yl)sulfanyl]quinolin-8-amine
CID 106921474
2-Methyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]quinolin-6-amine
CID 106921501
4-[(4-Methyl-1,3-oxazol-2-yl)sulfanyl]quinolin-7-amine
CID 106921570
2-[(4-Methyl-1,3-oxazol-2-yl)sulfanyl]quinolin-6-amine
CID 106921574
4-[(4-Methyl-1,3-oxazol-2-yl)sulfanyl]quinolin-3-amine
CID 106921591
4-[(4,5-Dimethyl-1,3-oxazol-2-yl)sulfanyl]quinolin-8-amine
CID 106921630
5-[(4,5-Dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-methylisoquinolin-8-amine
CID 106921633
5-[(4,5-Dimethyl-1,3-oxazol-2-yl)sulfanyl]isoquinolin-8-amine
CID 106921639
8-[(4,5-Dimethyl-1,3-oxazol-2-yl)sulfanyl]quinolin-5-amine
CID 106921662

Frequently Asked Questions

What is the IUPAC name of 4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-methylquinolin-6-amine?
The IUPAC name of 4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-methylquinolin-6-amine (CID 106921653) is 4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-methylquinolin-6-amine.
What is the SMILES notation for 4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-methylquinolin-6-amine?
The canonical SMILES for 4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-methylquinolin-6-amine is Cc1cc(Sc2nc(C)c(C)o2)c2cc(N)ccc2n1.
What is the InChIKey of 4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-methylquinolin-6-amine?
The InChIKey is ZDBHXWXGKBMBHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3OS/c1-8-6-14(20-15-18-9(2)10(3)19-15)12-7-11(16)4-5-13(12)17-8/h4-7H,16H2,1-3H3.
What are the key properties of 4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-methylquinolin-6-amine?
4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-methylquinolin-6-amine has a molecular weight of 285.37 g/mol, XLogP of 3.88, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-methylquinolin-6-amine is sourced from PubChem (CID 106921653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).