2-[(4-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide

C18H16N4OS2 — CID 1374077

IUPAC2-[(4-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide
SMILESCc1cc2ccccc2n2c(SCC(=O)NCc3cccs3)nnc12
InChIInChI=1S/C18H16N4OS2/c1-12-9-13-5-2-3-7-15(13)22-17(12)20-21-18(22)25-11-16(23)19-10-14-6-4-8-24-14/h2-9H,10-11H2,1H3,(H,19,23)
InChIKeyTUKBVRGPUJGDFG-UHFFFAOYSA-N
MW368.49 g/mol
LogP3.66
Rot. Bonds5

About 2-[(4-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide

2-[(4-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 1374077) has the molecular formula C18H16N4OS2 and a molecular weight of 368.49 g/mol. Its IUPAC name is 2-[(4-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(4-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide
PubChem CID1374077
Molecular FormulaC18H16N4OS2
Molecular Weight368.49 g/mol
Exact Mass368.08
IUPAC Name2-[(4-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide
SMILESCc1cc2ccccc2n2c(SCC(=O)NCc3cccs3)nnc12
InChIInChI=1S/C18H16N4OS2/c1-12-9-13-5-2-3-7-15(13)22-17(12)20-21-18(22)25-11-16(23)19-10-14-6-4-8-24-14/h2-9H,10-11H2,1H3,(H,19,23)
InChIKeyTUKBVRGPUJGDFG-UHFFFAOYSA-N
XLogP3.66
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.49
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[(4-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide with MolForge

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Related Compounds

N-(6-methyl-1-propylpyrazolo[3,4-b]quinolin-3-yl)thiophene-2-carboxamide
CID 1402347
N-(1-ethyl-1H-pyrazolo[3,4-b]quinolin-3-yl)-2-thiophenecarboxamide
CID 947170
2-[[4-(2-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(thiophen-2-ylmethyl)acetamide
CID 1081370
N-(7-methyl-1-propylpyrazolo[3,4-b]quinolin-3-yl)thiophene-2-carboxamide
CID 1984427
N-Cyclopentyl-2-(9-methyl-9H-1,3,4,9-tetraaza-fluoren-2-ylsulfanyl)-acetamide
CID 3151833
N-Thiophen-2-ylmethyl-2-(1-o-tolyl-1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanyl)-acetamide
CID 652572
1-Thiophen-2-yl-2-(5,7,9-trimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl)-ethanone
CID 1153357
N-(4,5,6,7-Tetrahydro-benzothiazol-2-yl)-2-(4,8,9-trimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl)-acetamide
CID 1153504
N-(5-Ethyl-[1,3,4]thiadiazol-2-yl)-2-(4,6,9-trimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl)-acetamide
CID 1173156
N-(4,5,6,7-Tetrahydro-benzothiazol-2-yl)-2-(4,6,9-trimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl)-acetamide
CID 1173185
1-(3,4-Dihydro-2H-quinolin-1-yl)-2-(4,7,9-trimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl)-ethanone
CID 1173230
2-((5-Methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)thio)-N-(thiophen-2-ylmethyl)acetamide
CID 1184257

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-[(4-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide (CID 1374077) is 2-[(4-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[(4-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-[(4-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide is Cc1cc2ccccc2n2c(SCC(=O)NCc3cccs3)nnc12.
What is the InChIKey of 2-[(4-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is TUKBVRGPUJGDFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4OS2/c1-12-9-13-5-2-3-7-15(13)22-17(12)20-21-18(22)25-11-16(23)19-10-14-6-4-8-24-14/h2-9H,10-11H2,1H3,(H,19,23).
What are the key properties of 2-[(4-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide?
2-[(4-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 368.49 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 1374077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).