[2,6-bis(methylsulfanyl)-4-pyridinyl]-(1-methylindol-5-yl)methanone

C17H16N2OS2 — CID 162646846

IUPAC[2,6-bis(methylsulfanyl)-4-pyridinyl]-(1-methylindol-5-yl)methanone
SMILESCSc1cc(C(=O)c2ccc3c(ccn3C)c2)cc(SC)n1
InChIInChI=1S/C17H16N2OS2/c1-19-7-6-11-8-12(4-5-14(11)19)17(20)13-9-15(21-2)18-16(10-13)22-3/h4-10H,1-3H3
InChIKeyFLMNKUHMSWTSCA-UHFFFAOYSA-N
MW328.46 g/mol
LogP4.25
Rot. Bonds4

About [2,6-bis(methylsulfanyl)-4-pyridinyl]-(1-methylindol-5-yl)methanone

[2,6-bis(methylsulfanyl)-4-pyridinyl]-(1-methylindol-5-yl)methanone (PubChem CID 162646846) has the molecular formula C17H16N2OS2 and a molecular weight of 328.46 g/mol. Its IUPAC name is [2,6-bis(methylsulfanyl)-4-pyridinyl]-(1-methylindol-5-yl)methanone.

Molecular Properties

Compound Name[2,6-bis(methylsulfanyl)-4-pyridinyl]-(1-methylindol-5-yl)methanone
PubChem CID162646846
Molecular FormulaC17H16N2OS2
Molecular Weight328.46 g/mol
Exact Mass328.07
IUPAC Name[2,6-bis(methylsulfanyl)-4-pyridinyl]-(1-methylindol-5-yl)methanone
SMILESCSc1cc(C(=O)c2ccc3c(ccn3C)c2)cc(SC)n1
InChIInChI=1S/C17H16N2OS2/c1-19-7-6-11-8-12(4-5-14(11)19)17(20)13-9-15(21-2)18-16(10-13)22-3/h4-10H,1-3H3
InChIKeyFLMNKUHMSWTSCA-UHFFFAOYSA-N
XLogP4.25
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2,6-bis(methylsulfanyl)-4-pyridinyl]-(1-methylindol-5-yl)methanone?
The IUPAC name of [2,6-bis(methylsulfanyl)-4-pyridinyl]-(1-methylindol-5-yl)methanone (CID 162646846) is [2,6-bis(methylsulfanyl)-4-pyridinyl]-(1-methylindol-5-yl)methanone.
What is the SMILES notation for [2,6-bis(methylsulfanyl)-4-pyridinyl]-(1-methylindol-5-yl)methanone?
The canonical SMILES for [2,6-bis(methylsulfanyl)-4-pyridinyl]-(1-methylindol-5-yl)methanone is CSc1cc(C(=O)c2ccc3c(ccn3C)c2)cc(SC)n1.
What is the InChIKey of [2,6-bis(methylsulfanyl)-4-pyridinyl]-(1-methylindol-5-yl)methanone?
The InChIKey is FLMNKUHMSWTSCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2OS2/c1-19-7-6-11-8-12(4-5-14(11)19)17(20)13-9-15(21-2)18-16(10-13)22-3/h4-10H,1-3H3.
What are the key properties of [2,6-bis(methylsulfanyl)-4-pyridinyl]-(1-methylindol-5-yl)methanone?
[2,6-bis(methylsulfanyl)-4-pyridinyl]-(1-methylindol-5-yl)methanone has a molecular weight of 328.46 g/mol, XLogP of 4.25, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2,6-bis(methylsulfanyl)-4-pyridinyl]-(1-methylindol-5-yl)methanone is sourced from PubChem (CID 162646846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).