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

C14H15FN4OS — CID 3228970

IUPAC2-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-(2-fluorophenyl)ethanone
SMILESO=C(CSc1nnnn1C1CCCC1)c1ccccc1F
InChIInChI=1S/C14H15FN4OS/c15-12-8-4-3-7-11(12)13(20)9-21-14-16-17-18-19(14)10-5-1-2-6-10/h3-4,7-8,10H,1-2,5-6,9H2
InChIKeyKFUOYTCCZIURSD-UHFFFAOYSA-N
MW306.37 g/mol
LogP2.90
Rot. Bonds5

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

2-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-(2-fluorophenyl)ethanone (PubChem CID 3228970) has the molecular formula C14H15FN4OS and a molecular weight of 306.37 g/mol. Its IUPAC name is 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-(2-fluorophenyl)ethanone.

Molecular Properties

Compound Name2-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-(2-fluorophenyl)ethanone
PubChem CID3228970
Molecular FormulaC14H15FN4OS
Molecular Weight306.37 g/mol
Exact Mass306.10
IUPAC Name2-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-(2-fluorophenyl)ethanone
SMILESO=C(CSc1nnnn1C1CCCC1)c1ccccc1F
InChIInChI=1S/C14H15FN4OS/c15-12-8-4-3-7-11(12)13(20)9-21-14-16-17-18-19(14)10-5-1-2-6-10/h3-4,7-8,10H,1-2,5-6,9H2
InChIKeyKFUOYTCCZIURSD-UHFFFAOYSA-N
XLogP2.90
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1-Benzyltetrazol-5-yl)sulfanyl-1-(2-fluorophenyl)ethanone
CID 3231631
2-[[1-(2-Methoxyethyl)-5-tetrazolyl]thio]-1-phenylethanone
CID 648820
1-(2,4-Dimethyl-phenyl)-2-(1-ethyl-1H-tetrazol-5-ylsulfanyl)-ethanone
CID 864275
1-(2,4-Dimethyl-phenyl)-2-(1-isopropyl-1H-tetrazol-5-ylsulfanyl)-ethanone
CID 1452339
1-(2,5-Dimethyl-phenyl)-2-(1-isopropyl-1H-tetrazol-5-ylsulfanyl)-ethanone
CID 1452340
2-(1-Butyltetrazol-5-yl)sulfanyl-1-(2-fluorophenyl)ethanone
CID 3212937
2-(1-Butyl-1H-tetrazol-5-ylsulfanyl)-1-(3,4-dimethyl-phenyl)-ethanone
CID 653568
1-(4-Fluoro-phenyl)-2-[1-(2-methoxy-ethyl)-1H-tetrazol-5-ylsulfanyl]-ethanone
CID 654764
2-(1-Benzyl-1H-tetrazol-5-ylsulfanyl)-1-phenyl-ethanone
CID 656235
2-(1-Ethyl-1H-tetrazol-5-ylsulfanyl)-1-p-tolyl-ethanone
CID 864274
2-(1-Benzyl-1H-tetrazol-5-ylsulfanyl)-1-(4-fluoro-phenyl)-ethanone
CID 1383769
1-(4-Fluorophenyl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylethanone
CID 1452338

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-(2-fluorophenyl)ethanone?
The IUPAC name of 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-(2-fluorophenyl)ethanone (CID 3228970) is 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-(2-fluorophenyl)ethanone.
What is the SMILES notation for 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-(2-fluorophenyl)ethanone?
The canonical SMILES for 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-(2-fluorophenyl)ethanone is O=C(CSc1nnnn1C1CCCC1)c1ccccc1F.
What is the InChIKey of 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-(2-fluorophenyl)ethanone?
The InChIKey is KFUOYTCCZIURSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN4OS/c15-12-8-4-3-7-11(12)13(20)9-21-14-16-17-18-19(14)10-5-1-2-6-10/h3-4,7-8,10H,1-2,5-6,9H2.
What are the key properties of 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-(2-fluorophenyl)ethanone?
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-(2-fluorophenyl)ethanone has a molecular weight of 306.37 g/mol, XLogP of 2.90, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-(2-fluorophenyl)ethanone is sourced from PubChem (CID 3228970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).