2-[(7-cyano-[1,3]dioxolo[4,5-g]quinolin-6-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide

C16H10N4O3S2 — CID 43812541

IUPAC2-[(7-cyano-[1,3]dioxolo[4,5-g]quinolin-6-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
SMILESN#Cc1cc2cc3c(cc2nc1SCC(=O)Nc1nccs1)OCO3
InChIInChI=1S/C16H10N4O3S2/c17-6-10-3-9-4-12-13(23-8-22-12)5-11(9)19-15(10)25-7-14(21)20-16-18-1-2-24-16/h1-5H,7-8H2,(H,18,20,21)
InChIKeyGPWSCCWQKWCSOC-UHFFFAOYSA-N
MW370.42 g/mol
LogP3.02
Rot. Bonds4

About 2-[(7-cyano-[1,3]dioxolo[4,5-g]quinolin-6-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide

2-[(7-cyano-[1,3]dioxolo[4,5-g]quinolin-6-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 43812541) has the molecular formula C16H10N4O3S2 and a molecular weight of 370.42 g/mol. Its IUPAC name is 2-[(7-cyano-[1,3]dioxolo[4,5-g]quinolin-6-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[(7-cyano-[1,3]dioxolo[4,5-g]quinolin-6-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
PubChem CID43812541
Molecular FormulaC16H10N4O3S2
Molecular Weight370.42 g/mol
Exact Mass370.02
IUPAC Name2-[(7-cyano-[1,3]dioxolo[4,5-g]quinolin-6-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
SMILESN#Cc1cc2cc3c(cc2nc1SCC(=O)Nc1nccs1)OCO3
InChIInChI=1S/C16H10N4O3S2/c17-6-10-3-9-4-12-13(23-8-22-12)5-11(9)19-15(10)25-7-14(21)20-16-18-1-2-24-16/h1-5H,7-8H2,(H,18,20,21)
InChIKeyGPWSCCWQKWCSOC-UHFFFAOYSA-N
XLogP3.02
TPSA97.13 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.42
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[(7-cyano-[1,3]dioxolo[4,5-g]quinolin-6-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide with MolForge

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Related Compounds

2-[(7-cyano-[1,3]dioxolo[4,5-g]quinolin-6-yl)sulfanyl]-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 43812548
2-[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
CID 2140504
N-tert-butyl-2-[(8-cyano-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-7-yl)sulfanyl]acetamide
CID 1450597
2-[(7-ethyl-[1,3]dioxolo[4,5-g]quinolin-6-yl)sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 3208285
2-[(8-cyano-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-7-yl)sulfanyl]-N-(2,3-dichlorophenyl)acetamide
CID 155278627
N-(1,3-benzodioxol-5-yl)-2-(3-cyano-7-ethoxyquinolin-2-yl)sulfanylacetamide
CID 43811558
2-[(8-cyano-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-7-yl)sulfanyl]-N-(2,5-dimethoxyphenyl)acetamide
CID 1450636
N-(1,3-benzodioxol-5-yl)-N'-(1,3-thiazol-2-yl)butanediamide
CID 23818664
ethyl 4-methyl-2-[[2-[(7-methyl-[1,3]dioxolo[4,5-g]quinolin-6-yl)sulfanyl]acetyl]amino]-1,3-thiazole-5-carboxylate
CID 3186988
2-(3-cyano-6,7-dimethoxyquinolin-2-yl)sulfanyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 43812567
2-(3-cyano-6-propan-2-ylquinolin-2-yl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 43812155
N-(1,3-benzothiazol-2-yl)-2-(3-cyano-6,7-dimethylquinolin-2-yl)sulfanylacetamide
CID 43811388

Frequently Asked Questions

What is the IUPAC name of 2-[(7-cyano-[1,3]dioxolo[4,5-g]quinolin-6-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[(7-cyano-[1,3]dioxolo[4,5-g]quinolin-6-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide (CID 43812541) is 2-[(7-cyano-[1,3]dioxolo[4,5-g]quinolin-6-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[(7-cyano-[1,3]dioxolo[4,5-g]quinolin-6-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[(7-cyano-[1,3]dioxolo[4,5-g]quinolin-6-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide is N#Cc1cc2cc3c(cc2nc1SCC(=O)Nc1nccs1)OCO3.
What is the InChIKey of 2-[(7-cyano-[1,3]dioxolo[4,5-g]quinolin-6-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is GPWSCCWQKWCSOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N4O3S2/c17-6-10-3-9-4-12-13(23-8-22-12)5-11(9)19-15(10)25-7-14(21)20-16-18-1-2-24-16/h1-5H,7-8H2,(H,18,20,21).
What are the key properties of 2-[(7-cyano-[1,3]dioxolo[4,5-g]quinolin-6-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide?
2-[(7-cyano-[1,3]dioxolo[4,5-g]quinolin-6-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 370.42 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7-cyano-[1,3]dioxolo[4,5-g]quinolin-6-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 43812541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).