(2S)-2-(8-methoxy-4-methylquinolin-2-yl)sulfanyl-N-(1,3-thiazol-2-yl)propanamide

C17H17N3O2S2 — CID 42272508

IUPAC(2S)-2-(8-methoxy-4-methylquinolin-2-yl)sulfanyl-N-(1,3-thiazol-2-yl)propanamide
SMILESCOc1cccc2c(C)cc(S[C@@H](C)C(=O)Nc3nccs3)nc12
InChIInChI=1S/C17H17N3O2S2/c1-10-9-14(19-15-12(10)5-4-6-13(15)22-3)24-11(2)16(21)20-17-18-7-8-23-17/h4-9,11H,1-3H3,(H,18,20,21)/t11-/m0/s1
InChIKeyNNOAHGRRSCZJBJ-NSHDSACASA-N
MW359.48 g/mol
LogP4.13
Rot. Bonds5

About (2S)-2-(8-methoxy-4-methylquinolin-2-yl)sulfanyl-N-(1,3-thiazol-2-yl)propanamide

(2S)-2-(8-methoxy-4-methylquinolin-2-yl)sulfanyl-N-(1,3-thiazol-2-yl)propanamide (PubChem CID 42272508) has the molecular formula C17H17N3O2S2 and a molecular weight of 359.48 g/mol. Its IUPAC name is (2S)-2-(8-methoxy-4-methylquinolin-2-yl)sulfanyl-N-(1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-(8-methoxy-4-methylquinolin-2-yl)sulfanyl-N-(1,3-thiazol-2-yl)propanamide
PubChem CID42272508
Molecular FormulaC17H17N3O2S2
Molecular Weight359.48 g/mol
Exact Mass359.08
IUPAC Name(2S)-2-(8-methoxy-4-methylquinolin-2-yl)sulfanyl-N-(1,3-thiazol-2-yl)propanamide
SMILESCOc1cccc2c(C)cc(S[C@@H](C)C(=O)Nc3nccs3)nc12
InChIInChI=1S/C17H17N3O2S2/c1-10-9-14(19-15-12(10)5-4-6-13(15)22-3)24-11(2)16(21)20-17-18-7-8-23-17/h4-9,11H,1-3H3,(H,18,20,21)/t11-/m0/s1
InChIKeyNNOAHGRRSCZJBJ-NSHDSACASA-N
XLogP4.13
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.48
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2S)-2-(8-methoxy-4-methylquinolin-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

Related Compounds

2-(8-methoxy-4-methylquinolin-2-yl)sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
CID 46302411
(2S)-2-(4-methylquinolin-2-yl)sulfanyl-N-(1,3-thiazol-2-yl)propanamide
CID 42272488
2-(8-methoxy-4-methylquinolin-2-yl)sulfanyl-N-(4-sulfamoylphenyl)propanamide
CID 46302335
N-(3,4-dimethoxyphenyl)-2-(4,8-dimethylquinolin-2-yl)sulfanylpropanamide
CID 46301952
(2R)-2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 42345164
2-(8-methoxy-4-methylquinolin-2-yl)sulfanyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)butanamide
CID 46302399
(2S)-N-(5-chloro-2-methoxyphenyl)-2-(4,8-dimethylquinolin-2-yl)sulfanylpropanamide
CID 7363756
2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)propanamide
CID 46302049
2-(8-methoxy-4-methylquinolin-2-yl)sulfanyl-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]butanamide
CID 46302421
2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide
CID 22695400
(2S)-N-(4-acetamidophenyl)-2-(4,8-dimethylquinolin-2-yl)sulfanylpropanamide
CID 7363693
3-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(1,3-thiazol-2-yl)propanamide
CID 39766697

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(8-methoxy-4-methylquinolin-2-yl)sulfanyl-N-(1,3-thiazol-2-yl)propanamide?
The IUPAC name of (2S)-2-(8-methoxy-4-methylquinolin-2-yl)sulfanyl-N-(1,3-thiazol-2-yl)propanamide (CID 42272508) is (2S)-2-(8-methoxy-4-methylquinolin-2-yl)sulfanyl-N-(1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for (2S)-2-(8-methoxy-4-methylquinolin-2-yl)sulfanyl-N-(1,3-thiazol-2-yl)propanamide?
The canonical SMILES for (2S)-2-(8-methoxy-4-methylquinolin-2-yl)sulfanyl-N-(1,3-thiazol-2-yl)propanamide is COc1cccc2c(C)cc(S[C@@H](C)C(=O)Nc3nccs3)nc12.
What is the InChIKey of (2S)-2-(8-methoxy-4-methylquinolin-2-yl)sulfanyl-N-(1,3-thiazol-2-yl)propanamide?
The InChIKey is NNOAHGRRSCZJBJ-NSHDSACASA-N. The full InChI is InChI=1S/C17H17N3O2S2/c1-10-9-14(19-15-12(10)5-4-6-13(15)22-3)24-11(2)16(21)20-17-18-7-8-23-17/h4-9,11H,1-3H3,(H,18,20,21)/t11-/m0/s1.
What are the key properties of (2S)-2-(8-methoxy-4-methylquinolin-2-yl)sulfanyl-N-(1,3-thiazol-2-yl)propanamide?
(2S)-2-(8-methoxy-4-methylquinolin-2-yl)sulfanyl-N-(1,3-thiazol-2-yl)propanamide has a molecular weight of 359.48 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(8-methoxy-4-methylquinolin-2-yl)sulfanyl-N-(1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 42272508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).