6-methoxy-2,2,4-trimethylquinoline-1-carbothioamide

C14H18N2OS — CID 834630

IUPAC6-methoxy-2,2,4-trimethylquinoline-1-carbothioamide
SMILESCOc1ccc2c(c1)C(C)=CC(C)(C)N2C(N)=S
InChIInChI=1S/C14H18N2OS/c1-9-8-14(2,3)16(13(15)18)12-6-5-10(17-4)7-11(9)12/h5-8H,1-4H3,(H2,15,18)
InChIKeyFNSFSMXUCORPDT-UHFFFAOYSA-N
MW262.38 g/mol
LogP2.94
Rot. Bonds1

About 6-methoxy-2,2,4-trimethylquinoline-1-carbothioamide

6-methoxy-2,2,4-trimethylquinoline-1-carbothioamide (PubChem CID 834630) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is 6-methoxy-2,2,4-trimethylquinoline-1-carbothioamide.

Molecular Properties

Compound Name6-methoxy-2,2,4-trimethylquinoline-1-carbothioamide
PubChem CID834630
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC Name6-methoxy-2,2,4-trimethylquinoline-1-carbothioamide
SMILESCOc1ccc2c(c1)C(C)=CC(C)(C)N2C(N)=S
InChIInChI=1S/C14H18N2OS/c1-9-8-14(2,3)16(13(15)18)12-6-5-10(17-4)7-11(9)12/h5-8H,1-4H3,(H2,15,18)
InChIKeyFNSFSMXUCORPDT-UHFFFAOYSA-N
XLogP2.94
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-methoxy-2,2,4-trimethylquinoline-1-carbothioamide 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 6-methoxy-2,2,4-trimethylquinoline-1-carbothioamide?
The IUPAC name of 6-methoxy-2,2,4-trimethylquinoline-1-carbothioamide (CID 834630) is 6-methoxy-2,2,4-trimethylquinoline-1-carbothioamide.
What is the SMILES notation for 6-methoxy-2,2,4-trimethylquinoline-1-carbothioamide?
The canonical SMILES for 6-methoxy-2,2,4-trimethylquinoline-1-carbothioamide is COc1ccc2c(c1)C(C)=CC(C)(C)N2C(N)=S.
What is the InChIKey of 6-methoxy-2,2,4-trimethylquinoline-1-carbothioamide?
The InChIKey is FNSFSMXUCORPDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c1-9-8-14(2,3)16(13(15)18)12-6-5-10(17-4)7-11(9)12/h5-8H,1-4H3,(H2,15,18).
What are the key properties of 6-methoxy-2,2,4-trimethylquinoline-1-carbothioamide?
6-methoxy-2,2,4-trimethylquinoline-1-carbothioamide has a molecular weight of 262.38 g/mol, XLogP of 2.94, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2,2,4-trimethylquinoline-1-carbothioamide is sourced from PubChem (CID 834630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).