3-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(1,3-thiazol-2-yl)propanamide

C17H17N3OS2 — CID 39766697

IUPAC3-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(1,3-thiazol-2-yl)propanamide
SMILESCc1cc(SCCC(=O)Nc2nccs2)nc2c(C)cccc12
InChIInChI=1S/C17H17N3OS2/c1-11-4-3-5-13-12(2)10-15(20-16(11)13)22-8-6-14(21)19-17-18-7-9-23-17/h3-5,7,9-10H,6,8H2,1-2H3,(H,18,19,21)
InChIKeyJRPMBCRRIGMKFW-UHFFFAOYSA-N
MW343.48 g/mol
LogP4.43
Rot. Bonds5

About 3-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(1,3-thiazol-2-yl)propanamide

3-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(1,3-thiazol-2-yl)propanamide (PubChem CID 39766697) has the molecular formula C17H17N3OS2 and a molecular weight of 343.48 g/mol. Its IUPAC name is 3-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(1,3-thiazol-2-yl)propanamide
PubChem CID39766697
Molecular FormulaC17H17N3OS2
Molecular Weight343.48 g/mol
Exact Mass343.08
IUPAC Name3-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(1,3-thiazol-2-yl)propanamide
SMILESCc1cc(SCCC(=O)Nc2nccs2)nc2c(C)cccc12
InChIInChI=1S/C17H17N3OS2/c1-11-4-3-5-13-12(2)10-15(20-16(11)13)22-8-6-14(21)19-17-18-7-9-23-17/h3-5,7,9-10H,6,8H2,1-2H3,(H,18,19,21)
InChIKeyJRPMBCRRIGMKFW-UHFFFAOYSA-N
XLogP4.43
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.48
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(1,3-thiazol-2-yl)propanamide 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-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(1,3-thiazol-2-yl)propanamide?
The IUPAC name of 3-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(1,3-thiazol-2-yl)propanamide (CID 39766697) is 3-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 3-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 3-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(1,3-thiazol-2-yl)propanamide is Cc1cc(SCCC(=O)Nc2nccs2)nc2c(C)cccc12.
What is the InChIKey of 3-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(1,3-thiazol-2-yl)propanamide?
The InChIKey is JRPMBCRRIGMKFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3OS2/c1-11-4-3-5-13-12(2)10-15(20-16(11)13)22-8-6-14(21)19-17-18-7-9-23-17/h3-5,7,9-10H,6,8H2,1-2H3,(H,18,19,21).
What are the key properties of 3-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(1,3-thiazol-2-yl)propanamide?
3-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(1,3-thiazol-2-yl)propanamide has a molecular weight of 343.48 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 39766697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).