2-(3-cyano-7-ethoxyquinolin-2-yl)sulfanyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide

C19H18N4O2S2 — CID 43812452

IUPAC2-(3-cyano-7-ethoxyquinolin-2-yl)sulfanyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide
SMILESCCOc1ccc2cc(C#N)c(SCC(=O)Nc3nc(C)c(C)s3)nc2c1
InChIInChI=1S/C19H18N4O2S2/c1-4-25-15-6-5-13-7-14(9-20)18(22-16(13)8-15)26-10-17(24)23-19-21-11(2)12(3)27-19/h5-8H,4,10H2,1-3H3,(H,21,23,24)
InChIKeyGEJPACTZXVZYIR-UHFFFAOYSA-N
MW398.51 g/mol
LogP4.31
Rot. Bonds6

About 2-(3-cyano-7-ethoxyquinolin-2-yl)sulfanyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide

2-(3-cyano-7-ethoxyquinolin-2-yl)sulfanyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide (PubChem CID 43812452) has the molecular formula C19H18N4O2S2 and a molecular weight of 398.51 g/mol. Its IUPAC name is 2-(3-cyano-7-ethoxyquinolin-2-yl)sulfanyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(3-cyano-7-ethoxyquinolin-2-yl)sulfanyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide
PubChem CID43812452
Molecular FormulaC19H18N4O2S2
Molecular Weight398.51 g/mol
Exact Mass398.09
IUPAC Name2-(3-cyano-7-ethoxyquinolin-2-yl)sulfanyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide
SMILESCCOc1ccc2cc(C#N)c(SCC(=O)Nc3nc(C)c(C)s3)nc2c1
InChIInChI=1S/C19H18N4O2S2/c1-4-25-15-6-5-13-7-14(9-20)18(22-16(13)8-15)26-10-17(24)23-19-21-11(2)12(3)27-19/h5-8H,4,10H2,1-3H3,(H,21,23,24)
InChIKeyGEJPACTZXVZYIR-UHFFFAOYSA-N
XLogP4.31
TPSA87.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(3-cyano-7-ethoxyquinolin-2-yl)sulfanyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide with MolForge

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Related Compounds

N-(2-bromophenyl)-2-(3-cyano-7-ethoxyquinolin-2-yl)sulfanylacetamide
CID 43812451
N-(1,3-benzodioxol-5-yl)-2-(3-cyano-7-ethoxyquinolin-2-yl)sulfanylacetamide
CID 43811558
2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide
CID 1164426
2-(3-cyano-6-ethoxyquinolin-2-yl)sulfanyl-N-(2,5-dimethylphenyl)acetamide
CID 995950
2-(3-cyano-7-methoxyquinolin-2-yl)sulfanyl-N-(3,5-dimethylphenyl)acetamide
CID 1450481
2-[[3-cyano-6-(4-methoxyphenyl)-2-pyridinyl]sulfanyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide
CID 4185125
methyl 4-[[2-(3-cyano-6-ethoxyquinolin-2-yl)sulfanylacetyl]amino]benzoate
CID 995960
methyl 2-(3-cyano-6-ethoxyquinolin-2-yl)sulfanylacetate
CID 865487
2-(3-cyano-6-ethoxyquinolin-2-yl)sulfanylacetamide
CID 865483
ethyl 4-[[2-(3-cyano-7-methylquinolin-2-yl)sulfanylacetyl]amino]benzoate
CID 995334
N-(1,3-benzothiazol-2-yl)-2-(3-cyano-6,7-dimethylquinolin-2-yl)sulfanylacetamide
CID 43811388
2-(3-cyano-6-methoxyquinolin-2-yl)sulfanyl-N-(5-methyl-1,3-benzothiazol-2-yl)acetamide
CID 1164444

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyano-7-ethoxyquinolin-2-yl)sulfanyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(3-cyano-7-ethoxyquinolin-2-yl)sulfanyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide (CID 43812452) is 2-(3-cyano-7-ethoxyquinolin-2-yl)sulfanyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(3-cyano-7-ethoxyquinolin-2-yl)sulfanyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(3-cyano-7-ethoxyquinolin-2-yl)sulfanyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide is CCOc1ccc2cc(C#N)c(SCC(=O)Nc3nc(C)c(C)s3)nc2c1.
What is the InChIKey of 2-(3-cyano-7-ethoxyquinolin-2-yl)sulfanyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is GEJPACTZXVZYIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2S2/c1-4-25-15-6-5-13-7-14(9-20)18(22-16(13)8-15)26-10-17(24)23-19-21-11(2)12(3)27-19/h5-8H,4,10H2,1-3H3,(H,21,23,24).
What are the key properties of 2-(3-cyano-7-ethoxyquinolin-2-yl)sulfanyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide?
2-(3-cyano-7-ethoxyquinolin-2-yl)sulfanyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 398.51 g/mol, XLogP of 4.31, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyano-7-ethoxyquinolin-2-yl)sulfanyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 43812452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).