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

C16H15N3OS2 — CID 22695400

IUPAC2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide
SMILESCc1cc(SCC(=O)Nc2nccs2)nc2c(C)cccc12
InChIInChI=1S/C16H15N3OS2/c1-10-4-3-5-12-11(2)8-14(19-15(10)12)22-9-13(20)18-16-17-6-7-21-16/h3-8H,9H2,1-2H3,(H,17,18,20)
InChIKeyVUXXTSGKTGLGLX-UHFFFAOYSA-N
MW329.45 g/mol
LogP4.04
Rot. Bonds4

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

2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 22695400) has the molecular formula C16H15N3OS2 and a molecular weight of 329.45 g/mol. Its IUPAC name is 2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide
PubChem CID22695400
Molecular FormulaC16H15N3OS2
Molecular Weight329.45 g/mol
Exact Mass329.07
IUPAC Name2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide
SMILESCc1cc(SCC(=O)Nc2nccs2)nc2c(C)cccc12
InChIInChI=1S/C16H15N3OS2/c1-10-4-3-5-12-11(2)8-14(19-15(10)12)22-9-13(20)18-16-17-6-7-21-16/h3-8H,9H2,1-2H3,(H,17,18,20)
InChIKeyVUXXTSGKTGLGLX-UHFFFAOYSA-N
XLogP4.04
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.45
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(1,3-thiazol-2-yl)propanamide
CID 39766697
2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(2-ethylphenyl)acetamide
CID 40529800
2-(4,8-dimethylquinolin-2-yl)sulfanylacetic acid
CID 686722
N-[(1R)-1-(3,4-dimethylphenyl)ethyl]-2-(4,8-dimethylquinolin-2-yl)sulfanylacetamide
CID 7363691
2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(3-sulfamoylphenyl)acetamide
CID 7363718
propan-2-yl 3-[[2-(4,8-dimethylquinolin-2-yl)sulfanylacetyl]amino]benzoate
CID 39757955
(2S)-2-(8-methoxy-4-methylquinolin-2-yl)sulfanyl-N-(1,3-thiazol-2-yl)propanamide
CID 42272508
2-(4-amino-2-methylphenyl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide
CID 43302977
3-[(5,9-dimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-N-(1,3-thiazol-2-yl)propanamide
CID 39758336
N-[2-(4-chlorophenyl)sulfanylethyl]-2-(4,8-dimethylquinolin-2-yl)sulfanylacetamide
CID 7630283
2-(2-methylanilino)-N-(1,3-thiazol-2-yl)acetamide
CID 125483975
N-(2-ethyl-6-methylphenyl)-2-(8-methoxy-4-methylquinolin-2-yl)sulfanylacetamide
CID 46302871

Frequently Asked Questions

What is the IUPAC name of 2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide (CID 22695400) is 2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide is Cc1cc(SCC(=O)Nc2nccs2)nc2c(C)cccc12.
What is the InChIKey of 2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is VUXXTSGKTGLGLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3OS2/c1-10-4-3-5-12-11(2)8-14(19-15(10)12)22-9-13(20)18-16-17-6-7-21-16/h3-8H,9H2,1-2H3,(H,17,18,20).
What are the key properties of 2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide?
2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 329.45 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 22695400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).