1-(3-fluorophenyl)-5-(naphthalen-1-ylmethylsulfanyl)tetrazole

C18H13FN4S — CID 7801928

IUPAC1-(3-fluorophenyl)-5-(naphthalen-1-ylmethylsulfanyl)tetrazole
SMILESFc1cccc(-n2nnnc2SCc2cccc3ccccc23)c1
InChIInChI=1S/C18H13FN4S/c19-15-8-4-9-16(11-15)23-18(20-21-22-23)24-12-14-7-3-6-13-5-1-2-10-17(13)14/h1-11H,12H2
InChIKeyPPIAOMUNUNNKNK-UHFFFAOYSA-N
MW336.40 g/mol
LogP4.25
Rot. Bonds4

About 1-(3-fluorophenyl)-5-(naphthalen-1-ylmethylsulfanyl)tetrazole

1-(3-fluorophenyl)-5-(naphthalen-1-ylmethylsulfanyl)tetrazole (PubChem CID 7801928) has the molecular formula C18H13FN4S and a molecular weight of 336.40 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-5-(naphthalen-1-ylmethylsulfanyl)tetrazole.

Molecular Properties

Compound Name1-(3-fluorophenyl)-5-(naphthalen-1-ylmethylsulfanyl)tetrazole
PubChem CID7801928
Molecular FormulaC18H13FN4S
Molecular Weight336.40 g/mol
Exact Mass336.08
IUPAC Name1-(3-fluorophenyl)-5-(naphthalen-1-ylmethylsulfanyl)tetrazole
SMILESFc1cccc(-n2nnnc2SCc2cccc3ccccc23)c1
InChIInChI=1S/C18H13FN4S/c19-15-8-4-9-16(11-15)23-18(20-21-22-23)24-12-14-7-3-6-13-5-1-2-10-17(13)14/h1-11H,12H2
InChIKeyPPIAOMUNUNNKNK-UHFFFAOYSA-N
XLogP4.25
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-fluorophenyl)-5-[(2-phenoxyphenyl)methylsulfanyl]tetrazole
CID 18231138
5-[(4-bromo-2-fluorophenyl)methylsulfanyl]-1-(3-fluorophenyl)tetrazole
CID 7562922
1-(3-chlorophenyl)-5-[(2-chlorophenyl)methylsulfanyl]tetrazole
CID 833720
ethyl 2-[[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylmethyl]-4-methylquinoline-3-carboxylate
CID 30153795
3-(3-chlorophenyl)-5-[[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylmethyl]-1,2,4-oxadiazole
CID 9399417
8-[[1-(3-chlorophenyl)tetrazol-5-yl]sulfanylmethyl]-6-fluoroquinoline
CID 38837928
5-[(4-chloro-2-fluorophenyl)methylsulfanyl]-1-naphthalen-1-yltetrazole
CID 134065468
1-(2-chlorophenyl)-2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylethanone
CID 7562916
3-[5-[(2-fluorophenyl)methylsulfanyl]tetrazol-1-yl]pyridine
CID 3164590
5-[(2-methylphenyl)methylsulfanyl]-1-phenyltetrazole
CID 3638084
1-(4-bromophenyl)-2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylethanone
CID 7562864
2-(2,5-dimethylfuran-3-yl)-5-[[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylmethyl]-1,3,4-oxadiazole
CID 17446430

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-5-(naphthalen-1-ylmethylsulfanyl)tetrazole?
The IUPAC name of 1-(3-fluorophenyl)-5-(naphthalen-1-ylmethylsulfanyl)tetrazole (CID 7801928) is 1-(3-fluorophenyl)-5-(naphthalen-1-ylmethylsulfanyl)tetrazole.
What is the SMILES notation for 1-(3-fluorophenyl)-5-(naphthalen-1-ylmethylsulfanyl)tetrazole?
The canonical SMILES for 1-(3-fluorophenyl)-5-(naphthalen-1-ylmethylsulfanyl)tetrazole is Fc1cccc(-n2nnnc2SCc2cccc3ccccc23)c1.
What is the InChIKey of 1-(3-fluorophenyl)-5-(naphthalen-1-ylmethylsulfanyl)tetrazole?
The InChIKey is PPIAOMUNUNNKNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN4S/c19-15-8-4-9-16(11-15)23-18(20-21-22-23)24-12-14-7-3-6-13-5-1-2-10-17(13)14/h1-11H,12H2.
What are the key properties of 1-(3-fluorophenyl)-5-(naphthalen-1-ylmethylsulfanyl)tetrazole?
1-(3-fluorophenyl)-5-(naphthalen-1-ylmethylsulfanyl)tetrazole has a molecular weight of 336.40 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 1-(3-fluorophenyl)-5-(naphthalen-1-ylmethylsulfanyl)tetrazole is sourced from PubChem (CID 7801928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).