2-(1-methyltetrazol-5-yl)sulfanyl-1-(2-phenyl-1H-indol-3-yl)ethanone

C18H15N5OS — CID 2566845

IUPAC2-(1-methyltetrazol-5-yl)sulfanyl-1-(2-phenyl-1H-indol-3-yl)ethanone
SMILESCn1nnnc1SCC(=O)c1c(-c2ccccc2)[nH]c2ccccc12
InChIInChI=1S/C18H15N5OS/c1-23-18(20-21-22-23)25-11-15(24)16-13-9-5-6-10-14(13)19-17(16)12-7-3-2-4-8-12/h2-10,19H,11H2,1H3
InChIKeyJIWBSGXOYJZZRR-UHFFFAOYSA-N
MW349.42 g/mol
LogP3.33
Rot. Bonds5

About 2-(1-methyltetrazol-5-yl)sulfanyl-1-(2-phenyl-1H-indol-3-yl)ethanone

2-(1-methyltetrazol-5-yl)sulfanyl-1-(2-phenyl-1H-indol-3-yl)ethanone (PubChem CID 2566845) has the molecular formula C18H15N5OS and a molecular weight of 349.42 g/mol. Its IUPAC name is 2-(1-methyltetrazol-5-yl)sulfanyl-1-(2-phenyl-1H-indol-3-yl)ethanone.

Molecular Properties

Compound Name2-(1-methyltetrazol-5-yl)sulfanyl-1-(2-phenyl-1H-indol-3-yl)ethanone
PubChem CID2566845
Molecular FormulaC18H15N5OS
Molecular Weight349.42 g/mol
Exact Mass349.10
IUPAC Name2-(1-methyltetrazol-5-yl)sulfanyl-1-(2-phenyl-1H-indol-3-yl)ethanone
SMILESCn1nnnc1SCC(=O)c1c(-c2ccccc2)[nH]c2ccccc12
InChIInChI=1S/C18H15N5OS/c1-23-18(20-21-22-23)25-11-15(24)16-13-9-5-6-10-14(13)19-17(16)12-7-3-2-4-8-12/h2-10,19H,11H2,1H3
InChIKeyJIWBSGXOYJZZRR-UHFFFAOYSA-N
XLogP3.33
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.42
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methyltetrazol-5-yl)sulfanyl-1-(2-phenyl-1H-indol-3-yl)ethanone?
The IUPAC name of 2-(1-methyltetrazol-5-yl)sulfanyl-1-(2-phenyl-1H-indol-3-yl)ethanone (CID 2566845) is 2-(1-methyltetrazol-5-yl)sulfanyl-1-(2-phenyl-1H-indol-3-yl)ethanone.
What is the SMILES notation for 2-(1-methyltetrazol-5-yl)sulfanyl-1-(2-phenyl-1H-indol-3-yl)ethanone?
The canonical SMILES for 2-(1-methyltetrazol-5-yl)sulfanyl-1-(2-phenyl-1H-indol-3-yl)ethanone is Cn1nnnc1SCC(=O)c1c(-c2ccccc2)[nH]c2ccccc12.
What is the InChIKey of 2-(1-methyltetrazol-5-yl)sulfanyl-1-(2-phenyl-1H-indol-3-yl)ethanone?
The InChIKey is JIWBSGXOYJZZRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5OS/c1-23-18(20-21-22-23)25-11-15(24)16-13-9-5-6-10-14(13)19-17(16)12-7-3-2-4-8-12/h2-10,19H,11H2,1H3.
What are the key properties of 2-(1-methyltetrazol-5-yl)sulfanyl-1-(2-phenyl-1H-indol-3-yl)ethanone?
2-(1-methyltetrazol-5-yl)sulfanyl-1-(2-phenyl-1H-indol-3-yl)ethanone has a molecular weight of 349.42 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyltetrazol-5-yl)sulfanyl-1-(2-phenyl-1H-indol-3-yl)ethanone is sourced from PubChem (CID 2566845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).