1-(5-chlorothiophen-2-yl)-2-[(5,6-dipyridin-2-yl-1,2,4-triazin-3-yl)sulfanyl]ethanone

C19H12ClN5OS2 — CID 6492513

IUPAC1-(5-chlorothiophen-2-yl)-2-[(5,6-dipyridin-2-yl-1,2,4-triazin-3-yl)sulfanyl]ethanone
SMILESO=C(CSc1nnc(-c2ccccn2)c(-c2ccccn2)n1)c1ccc(Cl)s1
InChIInChI=1S/C19H12ClN5OS2/c20-16-8-7-15(28-16)14(26)11-27-19-23-17(12-5-1-3-9-21-12)18(24-25-19)13-6-2-4-10-22-13/h1-10H,11H2
InChIKeyFKKBMLVOKMAOMY-UHFFFAOYSA-N
MW425.93 g/mol
LogP4.69
Rot. Bonds6

About 1-(5-chlorothiophen-2-yl)-2-[(5,6-dipyridin-2-yl-1,2,4-triazin-3-yl)sulfanyl]ethanone

1-(5-chlorothiophen-2-yl)-2-[(5,6-dipyridin-2-yl-1,2,4-triazin-3-yl)sulfanyl]ethanone (PubChem CID 6492513) has the molecular formula C19H12ClN5OS2 and a molecular weight of 425.93 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-2-[(5,6-dipyridin-2-yl-1,2,4-triazin-3-yl)sulfanyl]ethanone.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-2-[(5,6-dipyridin-2-yl-1,2,4-triazin-3-yl)sulfanyl]ethanone
PubChem CID6492513
Molecular FormulaC19H12ClN5OS2
Molecular Weight425.93 g/mol
Exact Mass425.02
IUPAC Name1-(5-chlorothiophen-2-yl)-2-[(5,6-dipyridin-2-yl-1,2,4-triazin-3-yl)sulfanyl]ethanone
SMILESO=C(CSc1nnc(-c2ccccn2)c(-c2ccccn2)n1)c1ccc(Cl)s1
InChIInChI=1S/C19H12ClN5OS2/c20-16-8-7-15(28-16)14(26)11-27-19-23-17(12-5-1-3-9-21-12)18(24-25-19)13-6-2-4-10-22-13/h1-10H,11H2
InChIKeyFKKBMLVOKMAOMY-UHFFFAOYSA-N
XLogP4.69
TPSA81.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.93
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 1-(5-chlorothiophen-2-yl)-2-[(5,6-dipyridin-2-yl-1,2,4-triazin-3-yl)sulfanyl]ethanone with MolForge

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Related Compounds

1-(4-bromophenyl)-2-[(5,6-dipyridin-2-yl-1,2,4-triazin-3-yl)sulfanyl]ethanone
CID 6492504
1-(5-chlorothiophen-2-yl)-2-phenylsulfanylethanone
CID 43413346
2-(2-bromophenyl)sulfanyl-1-(5-chlorothiophen-2-yl)ethanone
CID 43231185
2-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-(5-chlorothiophen-2-yl)ethanone
CID 2547972
S-[2-oxo-2-(5-pyridin-2-ylthiophen-2-yl)ethyl] ethanethioate
CID 11242886
2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-1-(5-chlorothiophen-2-yl)ethanone
CID 38968189
2-[[5-[(4-chlorophenoxy)methyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-1-(5-chlorothiophen-2-yl)ethanone
CID 2438363
1-(5-chlorothiophen-2-yl)-2-[[5-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanone
CID 16607344
2-[[4-(4-chlorophenyl)-5,6,7,8-tetrahydroquinazolin-2-yl]sulfanyl]-1-(5-chlorothiophen-2-yl)ethanone
CID 20787355
5-pyridin-2-ylthiophene-2-carboxamide
CID 2778719
2-bromo-1-(5-pyridin-2-ylthiophen-2-yl)ethanone
CID 2776201
(5-chlorothiophen-2-yl)-pyridin-2-ylmethanone
CID 53401492

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-2-[(5,6-dipyridin-2-yl-1,2,4-triazin-3-yl)sulfanyl]ethanone?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-2-[(5,6-dipyridin-2-yl-1,2,4-triazin-3-yl)sulfanyl]ethanone (CID 6492513) is 1-(5-chlorothiophen-2-yl)-2-[(5,6-dipyridin-2-yl-1,2,4-triazin-3-yl)sulfanyl]ethanone.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-2-[(5,6-dipyridin-2-yl-1,2,4-triazin-3-yl)sulfanyl]ethanone?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-2-[(5,6-dipyridin-2-yl-1,2,4-triazin-3-yl)sulfanyl]ethanone is O=C(CSc1nnc(-c2ccccn2)c(-c2ccccn2)n1)c1ccc(Cl)s1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-2-[(5,6-dipyridin-2-yl-1,2,4-triazin-3-yl)sulfanyl]ethanone?
The InChIKey is FKKBMLVOKMAOMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClN5OS2/c20-16-8-7-15(28-16)14(26)11-27-19-23-17(12-5-1-3-9-21-12)18(24-25-19)13-6-2-4-10-22-13/h1-10H,11H2.
What are the key properties of 1-(5-chlorothiophen-2-yl)-2-[(5,6-dipyridin-2-yl-1,2,4-triazin-3-yl)sulfanyl]ethanone?
1-(5-chlorothiophen-2-yl)-2-[(5,6-dipyridin-2-yl-1,2,4-triazin-3-yl)sulfanyl]ethanone has a molecular weight of 425.93 g/mol, XLogP of 4.69, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)-2-[(5,6-dipyridin-2-yl-1,2,4-triazin-3-yl)sulfanyl]ethanone is sourced from PubChem (CID 6492513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).