2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanyl-1-(5-methylthiophen-2-yl)ethanone

C14H11FN4OS2 — CID 8702216

IUPAC2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanyl-1-(5-methylthiophen-2-yl)ethanone
SMILESCc1ccc(C(=O)CSc2nnnn2-c2cccc(F)c2)s1
InChIInChI=1S/C14H11FN4OS2/c1-9-5-6-13(22-9)12(20)8-21-14-16-17-18-19(14)11-4-2-3-10(15)7-11/h2-7H,8H2,1H3
InChIKeyJCJXVWMNFGYRPZ-UHFFFAOYSA-N
MW334.40 g/mol
LogP3.15
Rot. Bonds5

About 2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanyl-1-(5-methylthiophen-2-yl)ethanone

2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanyl-1-(5-methylthiophen-2-yl)ethanone (PubChem CID 8702216) has the molecular formula C14H11FN4OS2 and a molecular weight of 334.40 g/mol. Its IUPAC name is 2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanyl-1-(5-methylthiophen-2-yl)ethanone.

Molecular Properties

Compound Name2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanyl-1-(5-methylthiophen-2-yl)ethanone
PubChem CID8702216
Molecular FormulaC14H11FN4OS2
Molecular Weight334.40 g/mol
Exact Mass334.04
IUPAC Name2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanyl-1-(5-methylthiophen-2-yl)ethanone
SMILESCc1ccc(C(=O)CSc2nnnn2-c2cccc(F)c2)s1
InChIInChI=1S/C14H11FN4OS2/c1-9-5-6-13(22-9)12(20)8-21-14-16-17-18-19(14)11-4-2-3-10(15)7-11/h2-7H,8H2,1H3
InChIKeyJCJXVWMNFGYRPZ-UHFFFAOYSA-N
XLogP3.15
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(1-mesityl-1H-1,2,3,4-tetraazol-5-yl)thio]-1-(2-thienyl)ethan-1-one
CID 2795784
2-[(1-Phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-thiophen-2-ylethanone
CID 877545
N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-2-thiophenecarboxamide
CID 665780
(E)-1-[3-(tetrazol-1-yl)phenyl]-3-thiophen-2-ylprop-2-en-1-one
CID 8813955
1-(5-Bromothiophen-2-yl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylethanone
CID 2409867
2-[[5-(2-Fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1-thiophen-2-ylethanone
CID 2339454
1-(5-Bromothiophen-2-yl)-2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanylethanone
CID 2531718
(Z)-3-(dimethylamino)-2-(1-phenyltetrazol-5-yl)sulfanyl-1-thiophen-2-ylprop-2-en-1-one
CID 176422719
4-[1-(3-Fluorophenyl)tetrazol-5-yl]sulfanyl-1-thiophen-2-ylbutan-1-one
CID 7563013
1-(2,5-Dimethylthiophen-3-yl)-2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylethanone
CID 7648089
2-[1-(3-Fluorophenyl)tetrazol-5-yl]sulfanyl-1-thiophen-2-ylethanone
CID 7801904
N-[2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylacetyl]thiophene-2-carboxamide
CID 8285553

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanyl-1-(5-methylthiophen-2-yl)ethanone?
The IUPAC name of 2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanyl-1-(5-methylthiophen-2-yl)ethanone (CID 8702216) is 2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanyl-1-(5-methylthiophen-2-yl)ethanone.
What is the SMILES notation for 2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanyl-1-(5-methylthiophen-2-yl)ethanone?
The canonical SMILES for 2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanyl-1-(5-methylthiophen-2-yl)ethanone is Cc1ccc(C(=O)CSc2nnnn2-c2cccc(F)c2)s1.
What is the InChIKey of 2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanyl-1-(5-methylthiophen-2-yl)ethanone?
The InChIKey is JCJXVWMNFGYRPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN4OS2/c1-9-5-6-13(22-9)12(20)8-21-14-16-17-18-19(14)11-4-2-3-10(15)7-11/h2-7H,8H2,1H3.
What are the key properties of 2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanyl-1-(5-methylthiophen-2-yl)ethanone?
2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanyl-1-(5-methylthiophen-2-yl)ethanone has a molecular weight of 334.40 g/mol, XLogP of 3.15, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanyl-1-(5-methylthiophen-2-yl)ethanone is sourced from PubChem (CID 8702216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).