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

C18H19N3OS2 — CID 42345164

IUPAC(2R)-2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)propanamide
SMILESCc1csc(NC(=O)[C@@H](C)Sc2cc(C)c3cccc(C)c3n2)n1
InChIInChI=1S/C18H19N3OS2/c1-10-6-5-7-14-11(2)8-15(20-16(10)14)24-13(4)17(22)21-18-19-12(3)9-23-18/h5-9,13H,1-4H3,(H,19,21,22)/t13-/m1/s1
InChIKeyWUVFYNAXILIWQF-CYBMUJFWSA-N
MW357.50 g/mol
LogP4.74
Rot. Bonds4

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

(2R)-2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)propanamide (PubChem CID 42345164) has the molecular formula C18H19N3OS2 and a molecular weight of 357.50 g/mol. Its IUPAC name is (2R)-2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name(2R)-2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)propanamide
PubChem CID42345164
Molecular FormulaC18H19N3OS2
Molecular Weight357.50 g/mol
Exact Mass357.10
IUPAC Name(2R)-2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)propanamide
SMILESCc1csc(NC(=O)[C@@H](C)Sc2cc(C)c3cccc(C)c3n2)n1
InChIInChI=1S/C18H19N3OS2/c1-10-6-5-7-14-11(2)8-15(20-16(10)14)24-13(4)17(22)21-18-19-12(3)9-23-18/h5-9,13H,1-4H3,(H,19,21,22)/t13-/m1/s1
InChIKeyWUVFYNAXILIWQF-CYBMUJFWSA-N
XLogP4.74
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R)-2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)propanamide with MolForge

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Related Compounds

2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)propanamide
CID 46302049
(2R)-2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-propan-2-ylpropanamide
CID 9456586
(2S)-N-(4-acetamidophenyl)-2-(4,8-dimethylquinolin-2-yl)sulfanylpropanamide
CID 7363693
(2R)-N-(3-acetylphenyl)-2-(4,8-dimethylquinolin-2-yl)sulfanylpropanamide
CID 7363698
(2R)-2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(methylcarbamoyl)propanamide
CID 7743634
(2R)-2-(6-methylpyrimidin-4-yl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 27241479
(2R)-2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]propanamide
CID 8952780
2-(4,8-dimethylquinolin-2-yl)sulfanylpropanamide
CID 4821234
N-(3,4-dimethoxyphenyl)-2-(4,8-dimethylquinolin-2-yl)sulfanylpropanamide
CID 46301952
(2R)-N-cyclopentyl-2-(4,8-dimethylquinolin-2-yl)sulfanylpropanamide
CID 7743628
(2S)-2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-[(1S)-1-(4-fluorophenyl)ethyl]propanamide
CID 7363821
(2S)-2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(2-nitrophenyl)propanamide
CID 7743647

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)propanamide?
The IUPAC name of (2R)-2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)propanamide (CID 42345164) is (2R)-2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for (2R)-2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)propanamide?
The canonical SMILES for (2R)-2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)propanamide is Cc1csc(NC(=O)[C@@H](C)Sc2cc(C)c3cccc(C)c3n2)n1.
What is the InChIKey of (2R)-2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)propanamide?
The InChIKey is WUVFYNAXILIWQF-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H19N3OS2/c1-10-6-5-7-14-11(2)8-15(20-16(10)14)24-13(4)17(22)21-18-19-12(3)9-23-18/h5-9,13H,1-4H3,(H,19,21,22)/t13-/m1/s1.
What are the key properties of (2R)-2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)propanamide?
(2R)-2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)propanamide has a molecular weight of 357.50 g/mol, XLogP of 4.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 42345164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).