2-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide

C18H16N4OS2 — CID 1184257

IUPAC2-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide
SMILESCc1cc2nnc(SCC(=O)NCc3cccs3)n2c2ccccc12
InChIInChI=1S/C18H16N4OS2/c1-12-9-16-20-21-18(22(16)15-7-3-2-6-14(12)15)25-11-17(23)19-10-13-5-4-8-24-13/h2-9H,10-11H2,1H3,(H,19,23)
InChIKeyHUIOOPFCCLTVBX-UHFFFAOYSA-N
MW368.49 g/mol
LogP3.66
Rot. Bonds5

About 2-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide

2-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 1184257) has the molecular formula C18H16N4OS2 and a molecular weight of 368.49 g/mol. Its IUPAC name is 2-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide
PubChem CID1184257
Molecular FormulaC18H16N4OS2
Molecular Weight368.49 g/mol
Exact Mass368.08
IUPAC Name2-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide
SMILESCc1cc2nnc(SCC(=O)NCc3cccs3)n2c2ccccc12
InChIInChI=1S/C18H16N4OS2/c1-12-9-16-20-21-18(22(16)15-7-3-2-6-14(12)15)25-11-17(23)19-10-13-5-4-8-24-13/h2-9H,10-11H2,1H3,(H,19,23)
InChIKeyHUIOOPFCCLTVBX-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-[(5-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-(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-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-(4-Methyl-[1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl)-N-thiophen-2-ylmethyl-acetamide
CID 1374077
2-({4-allyl-5-[(1,3-benzothiazol-2-ylthio)methyl]-4H-1,2,4-triazol-3-yl}thio)-N-benzylacetamide
CID 1632798
2-[(4-methyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)thio]-N-(tetrahydro-2-furanylmethyl)acetamide
CID 2939815

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide (CID 1184257) is 2-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide is Cc1cc2nnc(SCC(=O)NCc3cccs3)n2c2ccccc12.
What is the InChIKey of 2-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is HUIOOPFCCLTVBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4OS2/c1-12-9-16-20-21-18(22(16)15-7-3-2-6-14(12)15)25-11-17(23)19-10-13-5-4-8-24-13/h2-9H,10-11H2,1H3,(H,19,23).
What are the key properties of 2-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide?
2-[(5-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-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 1184257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).