N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(4,6,9-trimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetamide

C19H20N6OS2 — CID 1173156

IUPACN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(4,6,9-trimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetamide
SMILESCCc1nnc(NC(=O)CSc2nnc3c(C)cc4c(C)ccc(C)c4n23)s1
InChIInChI=1S/C19H20N6OS2/c1-5-15-21-23-18(28-15)20-14(26)9-27-19-24-22-17-12(4)8-13-10(2)6-7-11(3)16(13)25(17)19/h6-8H,5,9H2,1-4H3,(H,20,23,26)
InChIKeyDWAPJEYUYKZUPW-UHFFFAOYSA-N
MW412.54 g/mol
LogP3.95
Rot. Bonds5

About N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(4,6,9-trimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetamide

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(4,6,9-trimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetamide (PubChem CID 1173156) has the molecular formula C19H20N6OS2 and a molecular weight of 412.54 g/mol. Its IUPAC name is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(4,6,9-trimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(4,6,9-trimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetamide
PubChem CID1173156
Molecular FormulaC19H20N6OS2
Molecular Weight412.54 g/mol
Exact Mass412.11
IUPAC NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(4,6,9-trimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetamide
SMILESCCc1nnc(NC(=O)CSc2nnc3c(C)cc4c(C)ccc(C)c4n23)s1
InChIInChI=1S/C19H20N6OS2/c1-5-15-21-23-18(28-15)20-14(26)9-27-19-24-22-17-12(4)8-13-10(2)6-7-11(3)16(13)25(17)19/h6-8H,5,9H2,1-4H3,(H,20,23,26)
InChIKeyDWAPJEYUYKZUPW-UHFFFAOYSA-N
XLogP3.95
TPSA85.07 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.54
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(5-Ethyl-[1,3,4]thiadiazol-2-yl)-2-(5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)-acetamide
CID 650356
N-(5-Methyl-isoxazol-3-yl)-2-(4,6,9-trimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl)-acetamide
CID 654574
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
1-Thiophen-2-yl-2-(4,8,9-trimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl)-ethanone
CID 1153539
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-Thiophen-2-yl-2-(4,6,9-trimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl)-ethanone
CID 1173198
2-((5-Methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)thio)-N-(thiophen-2-ylmethyl)acetamide
CID 1184257
2-(4-Methyl-[1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl)-N-thiophen-2-ylmethyl-acetamide
CID 1374077
2-[(5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)thio]-N-(5-propyl-1,3,4-thiadiazol-2-yl)butanamide
CID 2893833
2-([1,2,4]triazolo[4,3-a]quinolin-1-ylthio)-N-(p-tolyl)acetamide
CID 4181210
1-(3,4-Dihydro-2H-quinolin-1-yl)-2-(4,6,9-trimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl)-ethanone
CID 1173186
2-(5-tert-Butyl-[1,2,4]triazolo[4,3-c]quinazolin-3-ylsulfanyl)-N-(4-methyl-thiazol-2-yl)-acetamide
CID 3227432

Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(4,6,9-trimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetamide?
The IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(4,6,9-trimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetamide (CID 1173156) is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(4,6,9-trimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(4,6,9-trimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetamide?
The canonical SMILES for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(4,6,9-trimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetamide is CCc1nnc(NC(=O)CSc2nnc3c(C)cc4c(C)ccc(C)c4n23)s1.
What is the InChIKey of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(4,6,9-trimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetamide?
The InChIKey is DWAPJEYUYKZUPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6OS2/c1-5-15-21-23-18(28-15)20-14(26)9-27-19-24-22-17-12(4)8-13-10(2)6-7-11(3)16(13)25(17)19/h6-8H,5,9H2,1-4H3,(H,20,23,26).
What are the key properties of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(4,6,9-trimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetamide?
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(4,6,9-trimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetamide has a molecular weight of 412.54 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(4,6,9-trimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetamide is sourced from PubChem (CID 1173156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).