1-(9H-fluoren-3-yl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone

C18H15N3OS — CID 17449969

IUPAC1-(9H-fluoren-3-yl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone
SMILESCc1nc(SCC(=O)c2ccc3c(c2)-c2ccccc2C3)n[nH]1
InChIInChI=1S/C18H15N3OS/c1-11-19-18(21-20-11)23-10-17(22)14-7-6-13-8-12-4-2-3-5-15(12)16(13)9-14/h2-7,9H,8,10H2,1H3,(H,19,20,21)
InChIKeyIXHMLHRYMDWJSZ-UHFFFAOYSA-N
MW321.41 g/mol
LogP3.66
Rot. Bonds4

About 1-(9H-fluoren-3-yl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone

1-(9H-fluoren-3-yl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone (PubChem CID 17449969) has the molecular formula C18H15N3OS and a molecular weight of 321.41 g/mol. Its IUPAC name is 1-(9H-fluoren-3-yl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone.

Molecular Properties

Compound Name1-(9H-fluoren-3-yl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone
PubChem CID17449969
Molecular FormulaC18H15N3OS
Molecular Weight321.41 g/mol
Exact Mass321.09
IUPAC Name1-(9H-fluoren-3-yl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone
SMILESCc1nc(SCC(=O)c2ccc3c(c2)-c2ccccc2C3)n[nH]1
InChIInChI=1S/C18H15N3OS/c1-11-19-18(21-20-11)23-10-17(22)14-7-6-13-8-12-4-2-3-5-15(12)16(13)9-14/h2-7,9H,8,10H2,1H3,(H,19,20,21)
InChIKeyIXHMLHRYMDWJSZ-UHFFFAOYSA-N
XLogP3.66
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.41
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(9H-fluoren-3-yl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone with MolForge

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Related Compounds

1-(3-bromophenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone
CID 60709410
1-(9H-fluoren-3-yl)-2-(2,3,4,5,6-pentafluorophenyl)sulfanylethanone
CID 7467328
1-(3,4-dimethoxyphenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone
CID 17467065
1-(9H-fluoren-3-yl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone
CID 9108642
2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-(9H-fluoren-3-yl)ethanone
CID 7416807
1-(9H-fluoren-3-yl)-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]ethanone
CID 7225565
1-(9H-fluoren-3-yl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylethanone
CID 2383043
N-[2-methylsulfanyl-4-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]phenyl]acetamide
CID 47045910
2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-naphthalen-1-ylethanone
CID 735666
1-(2-fluorophenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone
CID 42092034
2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-[4-[3-(1H-pyrazol-5-yl)phenyl]phenyl]ethanone
CID 29027218
2-[[5-(2-fluorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methylphenyl)ethanone
CID 39606527

Frequently Asked Questions

What is the IUPAC name of 1-(9H-fluoren-3-yl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone?
The IUPAC name of 1-(9H-fluoren-3-yl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone (CID 17449969) is 1-(9H-fluoren-3-yl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone.
What is the SMILES notation for 1-(9H-fluoren-3-yl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone?
The canonical SMILES for 1-(9H-fluoren-3-yl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone is Cc1nc(SCC(=O)c2ccc3c(c2)-c2ccccc2C3)n[nH]1.
What is the InChIKey of 1-(9H-fluoren-3-yl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone?
The InChIKey is IXHMLHRYMDWJSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3OS/c1-11-19-18(21-20-11)23-10-17(22)14-7-6-13-8-12-4-2-3-5-15(12)16(13)9-14/h2-7,9H,8,10H2,1H3,(H,19,20,21).
What are the key properties of 1-(9H-fluoren-3-yl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone?
1-(9H-fluoren-3-yl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone has a molecular weight of 321.41 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(9H-fluoren-3-yl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone is sourced from PubChem (CID 17449969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).