2-(3-methylquinolin-2-yl)sulfanyl-N-(4-phenyl-1,3-thiazol-2-yl)acetamide

C21H17N3OS2 — CID 1153237

IUPAC2-(3-methylquinolin-2-yl)sulfanyl-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
SMILESCc1cc2ccccc2nc1SCC(=O)Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C21H17N3OS2/c1-14-11-16-9-5-6-10-17(16)22-20(14)26-13-19(25)24-21-23-18(12-27-21)15-7-3-2-4-8-15/h2-12H,13H2,1H3,(H,23,24,25)
InChIKeyGSPMBIWGLYNSON-UHFFFAOYSA-N
MW391.52 g/mol
LogP5.40
Rot. Bonds5

About 2-(3-methylquinolin-2-yl)sulfanyl-N-(4-phenyl-1,3-thiazol-2-yl)acetamide

2-(3-methylquinolin-2-yl)sulfanyl-N-(4-phenyl-1,3-thiazol-2-yl)acetamide (PubChem CID 1153237) has the molecular formula C21H17N3OS2 and a molecular weight of 391.52 g/mol. Its IUPAC name is 2-(3-methylquinolin-2-yl)sulfanyl-N-(4-phenyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(3-methylquinolin-2-yl)sulfanyl-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
PubChem CID1153237
Molecular FormulaC21H17N3OS2
Molecular Weight391.52 g/mol
Exact Mass391.08
IUPAC Name2-(3-methylquinolin-2-yl)sulfanyl-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
SMILESCc1cc2ccccc2nc1SCC(=O)Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C21H17N3OS2/c1-14-11-16-9-5-6-10-17(16)22-20(14)26-13-19(25)24-21-23-18(12-27-21)15-7-3-2-4-8-15/h2-12H,13H2,1H3,(H,23,24,25)
InChIKeyGSPMBIWGLYNSON-UHFFFAOYSA-N
XLogP5.40
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.52
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylquinolin-2-yl)sulfanyl-N-(4-phenyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(3-methylquinolin-2-yl)sulfanyl-N-(4-phenyl-1,3-thiazol-2-yl)acetamide (CID 1153237) is 2-(3-methylquinolin-2-yl)sulfanyl-N-(4-phenyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(3-methylquinolin-2-yl)sulfanyl-N-(4-phenyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(3-methylquinolin-2-yl)sulfanyl-N-(4-phenyl-1,3-thiazol-2-yl)acetamide is Cc1cc2ccccc2nc1SCC(=O)Nc1nc(-c2ccccc2)cs1.
What is the InChIKey of 2-(3-methylquinolin-2-yl)sulfanyl-N-(4-phenyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is GSPMBIWGLYNSON-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3OS2/c1-14-11-16-9-5-6-10-17(16)22-20(14)26-13-19(25)24-21-23-18(12-27-21)15-7-3-2-4-8-15/h2-12H,13H2,1H3,(H,23,24,25).
What are the key properties of 2-(3-methylquinolin-2-yl)sulfanyl-N-(4-phenyl-1,3-thiazol-2-yl)acetamide?
2-(3-methylquinolin-2-yl)sulfanyl-N-(4-phenyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 391.52 g/mol, XLogP of 5.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylquinolin-2-yl)sulfanyl-N-(4-phenyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 1153237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).