3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1-methylquinolin-2-one

C15H16N4OS2 — CID 122149458

IUPAC3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1-methylquinolin-2-one
SMILESCN(C)c1nnc(SCc2cc3ccccc3n(C)c2=O)s1
InChIInChI=1S/C15H16N4OS2/c1-18(2)14-16-17-15(22-14)21-9-11-8-10-6-4-5-7-12(10)19(3)13(11)20/h4-8H,9H2,1-3H3
InChIKeyAESMAABFFODMMY-UHFFFAOYSA-N
MW332.45 g/mol
LogP2.75
Rot. Bonds4

About 3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1-methylquinolin-2-one

3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1-methylquinolin-2-one (PubChem CID 122149458) has the molecular formula C15H16N4OS2 and a molecular weight of 332.45 g/mol. Its IUPAC name is 3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1-methylquinolin-2-one.

Molecular Properties

Compound Name3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1-methylquinolin-2-one
PubChem CID122149458
Molecular FormulaC15H16N4OS2
Molecular Weight332.45 g/mol
Exact Mass332.08
IUPAC Name3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1-methylquinolin-2-one
SMILESCN(C)c1nnc(SCc2cc3ccccc3n(C)c2=O)s1
InChIInChI=1S/C15H16N4OS2/c1-18(2)14-16-17-15(22-14)21-9-11-8-10-6-4-5-7-12(10)19(3)13(11)20/h4-8H,9H2,1-3H3
InChIKeyAESMAABFFODMMY-UHFFFAOYSA-N
XLogP2.75
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1-methylquinolin-2-one 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 3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1-methylquinolin-2-one?
The IUPAC name of 3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1-methylquinolin-2-one (CID 122149458) is 3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1-methylquinolin-2-one.
What is the SMILES notation for 3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1-methylquinolin-2-one?
The canonical SMILES for 3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1-methylquinolin-2-one is CN(C)c1nnc(SCc2cc3ccccc3n(C)c2=O)s1.
What is the InChIKey of 3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1-methylquinolin-2-one?
The InChIKey is AESMAABFFODMMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4OS2/c1-18(2)14-16-17-15(22-14)21-9-11-8-10-6-4-5-7-12(10)19(3)13(11)20/h4-8H,9H2,1-3H3.
What are the key properties of 3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1-methylquinolin-2-one?
3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1-methylquinolin-2-one has a molecular weight of 332.45 g/mol, XLogP of 2.75, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1-methylquinolin-2-one is sourced from PubChem (CID 122149458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).