2-(8-methoxy-4-methylquinolin-2-yl)sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide

C17H18N4O2S2 — CID 46302411

IUPAC2-(8-methoxy-4-methylquinolin-2-yl)sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
SMILESCOc1cccc2c(C)cc(SC(C)C(=O)Nc3nnc(C)s3)nc12
InChIInChI=1S/C17H18N4O2S2/c1-9-8-14(18-15-12(9)6-5-7-13(15)23-4)24-10(2)16(22)19-17-21-20-11(3)25-17/h5-8,10H,1-4H3,(H,19,21,22)
InChIKeyOICVNUHVYXNHCX-UHFFFAOYSA-N
MW374.49 g/mol
LogP3.83
Rot. Bonds5

About 2-(8-methoxy-4-methylquinolin-2-yl)sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide

2-(8-methoxy-4-methylquinolin-2-yl)sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide (PubChem CID 46302411) has the molecular formula C17H18N4O2S2 and a molecular weight of 374.49 g/mol. Its IUPAC name is 2-(8-methoxy-4-methylquinolin-2-yl)sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide.

Molecular Properties

Compound Name2-(8-methoxy-4-methylquinolin-2-yl)sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
PubChem CID46302411
Molecular FormulaC17H18N4O2S2
Molecular Weight374.49 g/mol
Exact Mass374.09
IUPAC Name2-(8-methoxy-4-methylquinolin-2-yl)sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
SMILESCOc1cccc2c(C)cc(SC(C)C(=O)Nc3nnc(C)s3)nc12
InChIInChI=1S/C17H18N4O2S2/c1-9-8-14(18-15-12(9)6-5-7-13(15)23-4)24-10(2)16(22)19-17-21-20-11(3)25-17/h5-8,10H,1-4H3,(H,19,21,22)
InChIKeyOICVNUHVYXNHCX-UHFFFAOYSA-N
XLogP3.83
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(8-methoxy-4-methylquinolin-2-yl)sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide with MolForge

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Related Compounds

(2S)-2-(8-methoxy-4-methylquinolin-2-yl)sulfanyl-N-(1,3-thiazol-2-yl)propanamide
CID 42272508
2-(8-methoxy-4-methylquinolin-2-yl)sulfanyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)butanamide
CID 46302399
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-sulfamoylphenyl)propanamide
CID 46302335
N-(3,4-dimethoxyphenyl)-2-(4,8-dimethylquinolin-2-yl)sulfanylpropanamide
CID 46301952
(2S)-N-(5-chloro-2-methoxyphenyl)-2-(4,8-dimethylquinolin-2-yl)sulfanylpropanamide
CID 7363756
(2R)-2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 42345164
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-(4-methylquinolin-2-yl)sulfanylpropanamide
CID 46301876
(2S)-N-(4-acetamidophenyl)-2-(4,8-dimethylquinolin-2-yl)sulfanylpropanamide
CID 7363693
2-(8-methoxy-4-methylquinolin-2-yl)sulfanyl-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]butanamide
CID 46302421
(2R)-2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-propan-2-ylpropanamide
CID 9456586
N-(2,4-dimethylphenyl)-2-(8-methoxy-4-methylquinolin-2-yl)sulfanylbutanamide
CID 46302344

Frequently Asked Questions

What is the IUPAC name of 2-(8-methoxy-4-methylquinolin-2-yl)sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide?
The IUPAC name of 2-(8-methoxy-4-methylquinolin-2-yl)sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide (CID 46302411) is 2-(8-methoxy-4-methylquinolin-2-yl)sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide.
What is the SMILES notation for 2-(8-methoxy-4-methylquinolin-2-yl)sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide?
The canonical SMILES for 2-(8-methoxy-4-methylquinolin-2-yl)sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide is COc1cccc2c(C)cc(SC(C)C(=O)Nc3nnc(C)s3)nc12.
What is the InChIKey of 2-(8-methoxy-4-methylquinolin-2-yl)sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide?
The InChIKey is OICVNUHVYXNHCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2S2/c1-9-8-14(18-15-12(9)6-5-7-13(15)23-4)24-10(2)16(22)19-17-21-20-11(3)25-17/h5-8,10H,1-4H3,(H,19,21,22).
What are the key properties of 2-(8-methoxy-4-methylquinolin-2-yl)sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide?
2-(8-methoxy-4-methylquinolin-2-yl)sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide has a molecular weight of 374.49 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-methoxy-4-methylquinolin-2-yl)sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide is sourced from PubChem (CID 46302411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).