2-(1-ethyltetrazol-5-yl)sulfanyl-1-(2-fluorophenyl)ethanone

C11H11FN4OS — CID 1452221

IUPAC2-(1-ethyltetrazol-5-yl)sulfanyl-1-(2-fluorophenyl)ethanone
SMILESCCn1nnnc1SCC(=O)c1ccccc1F
InChIInChI=1S/C11H11FN4OS/c1-2-16-11(13-14-15-16)18-7-10(17)8-5-3-4-6-9(8)12/h3-6H,2,7H2,1H3
InChIKeyINFVZFADQWTDHP-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.81
Rot. Bonds5

About 2-(1-ethyltetrazol-5-yl)sulfanyl-1-(2-fluorophenyl)ethanone

2-(1-ethyltetrazol-5-yl)sulfanyl-1-(2-fluorophenyl)ethanone (PubChem CID 1452221) has the molecular formula C11H11FN4OS and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-(1-ethyltetrazol-5-yl)sulfanyl-1-(2-fluorophenyl)ethanone.

Molecular Properties

Compound Name2-(1-ethyltetrazol-5-yl)sulfanyl-1-(2-fluorophenyl)ethanone
PubChem CID1452221
Molecular FormulaC11H11FN4OS
Molecular Weight266.30 g/mol
Exact Mass266.06
IUPAC Name2-(1-ethyltetrazol-5-yl)sulfanyl-1-(2-fluorophenyl)ethanone
SMILESCCn1nnnc1SCC(=O)c1ccccc1F
InChIInChI=1S/C11H11FN4OS/c1-2-16-11(13-14-15-16)18-7-10(17)8-5-3-4-6-9(8)12/h3-6H,2,7H2,1H3
InChIKeyINFVZFADQWTDHP-UHFFFAOYSA-N
XLogP1.81
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanyl-1-(2-fluorophenyl)ethanone
CID 7660845
1-(2,5-dimethylphenyl)-2-(1-ethyltetrazol-5-yl)sulfanylethanone
CID 863328
N-benzyl-2-(1-ethyltetrazol-5-yl)sulfanylacetamide
CID 864271
1-(4-fluorophenyl)-2-(1-propyltetrazol-5-yl)sulfanylethanone
CID 3212925
2-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-(2-fluorophenyl)ethanone
CID 2089255
1-(2-fluorophenyl)-2-[[5-methyl-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone
CID 7862610
2-(1-ethyltetrazol-5-yl)sulfanyl-N-(2-methoxyphenyl)acetamide
CID 864272
N-(4-acetamidophenyl)-2-(1-ethyltetrazol-5-yl)sulfanylacetamide
CID 1239751
2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(2-fluorophenyl)ethanone
CID 4783967
2-[(5-amino-7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)sulfanyl]-1-(2-fluorophenyl)ethanone
CID 43817389
N-[3-[[2-(1-ethyltetrazol-5-yl)sulfanylacetyl]amino]phenyl]propanamide
CID 3169643
3-[2-(2-fluorophenyl)-2-oxoethyl]sulfanyl-4-propan-2-yl-1H-1,2,4-triazol-5-one
CID 62883438

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethyltetrazol-5-yl)sulfanyl-1-(2-fluorophenyl)ethanone?
The IUPAC name of 2-(1-ethyltetrazol-5-yl)sulfanyl-1-(2-fluorophenyl)ethanone (CID 1452221) is 2-(1-ethyltetrazol-5-yl)sulfanyl-1-(2-fluorophenyl)ethanone.
What is the SMILES notation for 2-(1-ethyltetrazol-5-yl)sulfanyl-1-(2-fluorophenyl)ethanone?
The canonical SMILES for 2-(1-ethyltetrazol-5-yl)sulfanyl-1-(2-fluorophenyl)ethanone is CCn1nnnc1SCC(=O)c1ccccc1F.
What is the InChIKey of 2-(1-ethyltetrazol-5-yl)sulfanyl-1-(2-fluorophenyl)ethanone?
The InChIKey is INFVZFADQWTDHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN4OS/c1-2-16-11(13-14-15-16)18-7-10(17)8-5-3-4-6-9(8)12/h3-6H,2,7H2,1H3.
What are the key properties of 2-(1-ethyltetrazol-5-yl)sulfanyl-1-(2-fluorophenyl)ethanone?
2-(1-ethyltetrazol-5-yl)sulfanyl-1-(2-fluorophenyl)ethanone has a molecular weight of 266.30 g/mol, XLogP of 1.81, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethyltetrazol-5-yl)sulfanyl-1-(2-fluorophenyl)ethanone is sourced from PubChem (CID 1452221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).