2-(7-methoxy-4-methylquinolin-2-yl)sulfanyl-N-[5-(2-methylphenyl)-1,2,4-thiadiazol-3-yl]acetamide

C22H20N4O2S2 — CID 15991368

IUPAC2-(7-methoxy-4-methylquinolin-2-yl)sulfanyl-N-[5-(2-methylphenyl)-1,2,4-thiadiazol-3-yl]acetamide
SMILESCOc1ccc2c(C)cc(SCC(=O)Nc3nsc(-c4ccccc4C)n3)nc2c1
InChIInChI=1S/C22H20N4O2S2/c1-13-6-4-5-7-17(13)21-25-22(26-30-21)24-19(27)12-29-20-10-14(2)16-9-8-15(28-3)11-18(16)23-20/h4-11H,12H2,1-3H3,(H,24,26,27)
InChIKeyHKLSDWDCPQWIDB-UHFFFAOYSA-N
MW436.56 g/mol
LogP5.11
Rot. Bonds6

About 2-(7-methoxy-4-methylquinolin-2-yl)sulfanyl-N-[5-(2-methylphenyl)-1,2,4-thiadiazol-3-yl]acetamide

2-(7-methoxy-4-methylquinolin-2-yl)sulfanyl-N-[5-(2-methylphenyl)-1,2,4-thiadiazol-3-yl]acetamide (PubChem CID 15991368) has the molecular formula C22H20N4O2S2 and a molecular weight of 436.56 g/mol. Its IUPAC name is 2-(7-methoxy-4-methylquinolin-2-yl)sulfanyl-N-[5-(2-methylphenyl)-1,2,4-thiadiazol-3-yl]acetamide.

Molecular Properties

Compound Name2-(7-methoxy-4-methylquinolin-2-yl)sulfanyl-N-[5-(2-methylphenyl)-1,2,4-thiadiazol-3-yl]acetamide
PubChem CID15991368
Molecular FormulaC22H20N4O2S2
Molecular Weight436.56 g/mol
Exact Mass436.10
IUPAC Name2-(7-methoxy-4-methylquinolin-2-yl)sulfanyl-N-[5-(2-methylphenyl)-1,2,4-thiadiazol-3-yl]acetamide
SMILESCOc1ccc2c(C)cc(SCC(=O)Nc3nsc(-c4ccccc4C)n3)nc2c1
InChIInChI=1S/C22H20N4O2S2/c1-13-6-4-5-7-17(13)21-25-22(26-30-21)24-19(27)12-29-20-10-14(2)16-9-8-15(28-3)11-18(16)23-20/h4-11H,12H2,1-3H3,(H,24,26,27)
InChIKeyHKLSDWDCPQWIDB-UHFFFAOYSA-N
XLogP5.11
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.56
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(7-methoxy-4-methylquinolin-2-yl)sulfanyl-N-[5-(2-methylphenyl)-1,2,4-thiadiazol-3-yl]acetamide with MolForge

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Related Compounds

(1S,3S)-N1-(7-methoxy-4-methylquinolin-2-yl)-N3-(thiophen-3-ylmethyl)cyclohexane-1,3-diamine
CID 44442095
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CID 71458522
2-(7-Methoxy-3-methyl-quinolin-2-ylsulfanyl)-N-(5-methyl-isoxazol-3-yl)-acetamide
CID 648080
2-(3-Ethyl-7-methoxy-quinolin-2-ylsulfanyl)-N-(5-methyl-isoxazol-3-yl)-acetamide
CID 650104
7-methoxy-4-methyl-2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]quinoline
CID 723133
2-(8-Methoxy-4-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl)-N-(4-phenyl-thiazol-2-yl)-acetamide
CID 1172037
2-(7-Methoxy-4-phenylquinolin-2-yl)sulfanylacetamide
CID 2083100
N-carbamoyl-2-(7-methoxy-4-phenylquinolin-2-yl)sulfanylacetamide
CID 2588947
N-[5-(4-Tert-butylphenyl)-1,2,4-thiadiazol-3-YL]-2-[(7-methoxy-4-methylquinolin-2-YL)sulfanyl]acetamide
CID 4057980
4-(4-methoxyphenyl)-N-quinolin-2-yl-1,3-thiazol-2-amine
CID 137647239
2-(2-Cyclopropyl-quinazolin-4-ylsulfanyl)-N-(3-methoxy-phenyl)-acetamide
CID 1435094
2-[(7-Methoxy-4-phenylquinolin-2-yl)sulfanyl]propanamide
CID 4571607

Frequently Asked Questions

What is the IUPAC name of 2-(7-methoxy-4-methylquinolin-2-yl)sulfanyl-N-[5-(2-methylphenyl)-1,2,4-thiadiazol-3-yl]acetamide?
The IUPAC name of 2-(7-methoxy-4-methylquinolin-2-yl)sulfanyl-N-[5-(2-methylphenyl)-1,2,4-thiadiazol-3-yl]acetamide (CID 15991368) is 2-(7-methoxy-4-methylquinolin-2-yl)sulfanyl-N-[5-(2-methylphenyl)-1,2,4-thiadiazol-3-yl]acetamide.
What is the SMILES notation for 2-(7-methoxy-4-methylquinolin-2-yl)sulfanyl-N-[5-(2-methylphenyl)-1,2,4-thiadiazol-3-yl]acetamide?
The canonical SMILES for 2-(7-methoxy-4-methylquinolin-2-yl)sulfanyl-N-[5-(2-methylphenyl)-1,2,4-thiadiazol-3-yl]acetamide is COc1ccc2c(C)cc(SCC(=O)Nc3nsc(-c4ccccc4C)n3)nc2c1.
What is the InChIKey of 2-(7-methoxy-4-methylquinolin-2-yl)sulfanyl-N-[5-(2-methylphenyl)-1,2,4-thiadiazol-3-yl]acetamide?
The InChIKey is HKLSDWDCPQWIDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O2S2/c1-13-6-4-5-7-17(13)21-25-22(26-30-21)24-19(27)12-29-20-10-14(2)16-9-8-15(28-3)11-18(16)23-20/h4-11H,12H2,1-3H3,(H,24,26,27).
What are the key properties of 2-(7-methoxy-4-methylquinolin-2-yl)sulfanyl-N-[5-(2-methylphenyl)-1,2,4-thiadiazol-3-yl]acetamide?
2-(7-methoxy-4-methylquinolin-2-yl)sulfanyl-N-[5-(2-methylphenyl)-1,2,4-thiadiazol-3-yl]acetamide has a molecular weight of 436.56 g/mol, XLogP of 5.11, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-methoxy-4-methylquinolin-2-yl)sulfanyl-N-[5-(2-methylphenyl)-1,2,4-thiadiazol-3-yl]acetamide is sourced from PubChem (CID 15991368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).