1-(3-fluorophenyl)-5-(3-imidazol-1-ylpropylsulfanyl)tetrazole

C13H13FN6S — CID 75505518

IUPAC1-(3-fluorophenyl)-5-(3-imidazol-1-ylpropylsulfanyl)tetrazole
SMILESFc1cccc(-n2nnnc2SCCCn2ccnc2)c1
InChIInChI=1S/C13H13FN6S/c14-11-3-1-4-12(9-11)20-13(16-17-18-20)21-8-2-6-19-7-5-15-10-19/h1,3-5,7,9-10H,2,6,8H2
InChIKeyZUUGWFRDXZWPKH-UHFFFAOYSA-N
MW304.35 g/mol
LogP2.18
Rot. Bonds6

About 1-(3-fluorophenyl)-5-(3-imidazol-1-ylpropylsulfanyl)tetrazole

1-(3-fluorophenyl)-5-(3-imidazol-1-ylpropylsulfanyl)tetrazole (PubChem CID 75505518) has the molecular formula C13H13FN6S and a molecular weight of 304.35 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-5-(3-imidazol-1-ylpropylsulfanyl)tetrazole.

Molecular Properties

Compound Name1-(3-fluorophenyl)-5-(3-imidazol-1-ylpropylsulfanyl)tetrazole
PubChem CID75505518
Molecular FormulaC13H13FN6S
Molecular Weight304.35 g/mol
Exact Mass304.09
IUPAC Name1-(3-fluorophenyl)-5-(3-imidazol-1-ylpropylsulfanyl)tetrazole
SMILESFc1cccc(-n2nnnc2SCCCn2ccnc2)c1
InChIInChI=1S/C13H13FN6S/c14-11-3-1-4-12(9-11)20-13(16-17-18-20)21-8-2-6-19-7-5-15-10-19/h1,3-5,7,9-10H,2,6,8H2
InChIKeyZUUGWFRDXZWPKH-UHFFFAOYSA-N
XLogP2.18
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(3-fluorophenyl)-5-(naphthalen-1-ylmethylsulfanyl)tetrazole
CID 7801928
5-[2-(2,5-dimethylphenyl)sulfonylethylsulfanyl]-1-(3-fluorophenyl)tetrazole
CID 24577904
5-[(4-bromo-2-fluorophenyl)methylsulfanyl]-1-(3-fluorophenyl)tetrazole
CID 7562922
1-(2-chlorophenyl)-2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylethanone
CID 7562916
1-(4-bromophenyl)-2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylethanone
CID 7562864
5-[3-(4-fluorophenyl)sulfonylpropylsulfanyl]-1-(3-methylphenyl)tetrazole
CID 47501801
1-(3-fluorophenyl)-5-[(2-phenoxyphenyl)methylsulfanyl]tetrazole
CID 18231138
N-(3-chloro-4-cyanophenyl)-3-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylpropanamide
CID 46683618
3-fluoro-N-(2-imidazol-1-ylethyl)aniline
CID 62564347
N-(3-chlorophenyl)-2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylacetamide
CID 7562846
N-cyclohexyl-2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylacetamide
CID 1449761
2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanylethanol
CID 17437726

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-5-(3-imidazol-1-ylpropylsulfanyl)tetrazole?
The IUPAC name of 1-(3-fluorophenyl)-5-(3-imidazol-1-ylpropylsulfanyl)tetrazole (CID 75505518) is 1-(3-fluorophenyl)-5-(3-imidazol-1-ylpropylsulfanyl)tetrazole.
What is the SMILES notation for 1-(3-fluorophenyl)-5-(3-imidazol-1-ylpropylsulfanyl)tetrazole?
The canonical SMILES for 1-(3-fluorophenyl)-5-(3-imidazol-1-ylpropylsulfanyl)tetrazole is Fc1cccc(-n2nnnc2SCCCn2ccnc2)c1.
What is the InChIKey of 1-(3-fluorophenyl)-5-(3-imidazol-1-ylpropylsulfanyl)tetrazole?
The InChIKey is ZUUGWFRDXZWPKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN6S/c14-11-3-1-4-12(9-11)20-13(16-17-18-20)21-8-2-6-19-7-5-15-10-19/h1,3-5,7,9-10H,2,6,8H2.
What are the key properties of 1-(3-fluorophenyl)-5-(3-imidazol-1-ylpropylsulfanyl)tetrazole?
1-(3-fluorophenyl)-5-(3-imidazol-1-ylpropylsulfanyl)tetrazole has a molecular weight of 304.35 g/mol, XLogP of 2.18, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-5-(3-imidazol-1-ylpropylsulfanyl)tetrazole is sourced from PubChem (CID 75505518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).