2-(6-ethoxy-3-methylquinolin-2-yl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide

C18H19N3O2S2 — CID 3672751

IUPAC2-(6-ethoxy-3-methylquinolin-2-yl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide
SMILESCCOc1ccc2nc(SCC(=O)Nc3nc(C)cs3)c(C)cc2c1
InChIInChI=1S/C18H19N3O2S2/c1-4-23-14-5-6-15-13(8-14)7-11(2)17(20-15)24-10-16(22)21-18-19-12(3)9-25-18/h5-9H,4,10H2,1-3H3,(H,19,21,22)
InChIKeyOQOPBUIGVXQSJV-UHFFFAOYSA-N
MW373.50 g/mol
LogP4.44
Rot. Bonds6

About 2-(6-ethoxy-3-methylquinolin-2-yl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide

2-(6-ethoxy-3-methylquinolin-2-yl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide (PubChem CID 3672751) has the molecular formula C18H19N3O2S2 and a molecular weight of 373.50 g/mol. Its IUPAC name is 2-(6-ethoxy-3-methylquinolin-2-yl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(6-ethoxy-3-methylquinolin-2-yl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide
PubChem CID3672751
Molecular FormulaC18H19N3O2S2
Molecular Weight373.50 g/mol
Exact Mass373.09
IUPAC Name2-(6-ethoxy-3-methylquinolin-2-yl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide
SMILESCCOc1ccc2nc(SCC(=O)Nc3nc(C)cs3)c(C)cc2c1
InChIInChI=1S/C18H19N3O2S2/c1-4-23-14-5-6-15-13(8-14)7-11(2)17(20-15)24-10-16(22)21-18-19-12(3)9-25-18/h5-9H,4,10H2,1-3H3,(H,19,21,22)
InChIKeyOQOPBUIGVXQSJV-UHFFFAOYSA-N
XLogP4.44
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(6-ethoxy-3-methylquinolin-2-yl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide with MolForge

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Related Compounds

2-(6-ethoxy-3-methylquinolin-2-yl)sulfanyl-N-(4-fluorophenyl)acetamide
CID 1143750
2-(6-ethoxy-3-methylquinolin-2-yl)sulfanyl-N-(3-methylphenyl)acetamide
CID 1143745
N-(2,5-dimethoxyphenyl)-2-(6-ethoxy-3-methylquinolin-2-yl)sulfanylacetamide
CID 1134598
2-(3-cyano-6-propan-2-ylquinolin-2-yl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 43812155
2-(3-cyano-6-ethoxyquinolin-2-yl)sulfanyl-N-(2,5-dimethylphenyl)acetamide
CID 995950
ethyl 2-[2-[[2-(3,6,7-trimethylquinolin-2-yl)sulfanylacetyl]amino]-1,3-thiazol-4-yl]acetate
CID 1153272
2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide
CID 1164426
2-[(7-ethyl-[1,3]dioxolo[4,5-g]quinolin-6-yl)sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 3208285
methyl 2-(3-cyano-6-ethoxyquinolin-2-yl)sulfanylacetate
CID 865487
N-(4-acetamidophenyl)-2-(6-methoxy-3-methylquinolin-2-yl)sulfanylacetamide
CID 1176220
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide
CID 3994330
methyl 4-[[2-(3-cyano-6-ethoxyquinolin-2-yl)sulfanylacetyl]amino]benzoate
CID 995960

Frequently Asked Questions

What is the IUPAC name of 2-(6-ethoxy-3-methylquinolin-2-yl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(6-ethoxy-3-methylquinolin-2-yl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide (CID 3672751) is 2-(6-ethoxy-3-methylquinolin-2-yl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(6-ethoxy-3-methylquinolin-2-yl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(6-ethoxy-3-methylquinolin-2-yl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide is CCOc1ccc2nc(SCC(=O)Nc3nc(C)cs3)c(C)cc2c1.
What is the InChIKey of 2-(6-ethoxy-3-methylquinolin-2-yl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is OQOPBUIGVXQSJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2S2/c1-4-23-14-5-6-15-13(8-14)7-11(2)17(20-15)24-10-16(22)21-18-19-12(3)9-25-18/h5-9H,4,10H2,1-3H3,(H,19,21,22).
What are the key properties of 2-(6-ethoxy-3-methylquinolin-2-yl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
2-(6-ethoxy-3-methylquinolin-2-yl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 373.50 g/mol, XLogP of 4.44, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-ethoxy-3-methylquinolin-2-yl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 3672751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).