N-[(2-fluorophenyl)methyl]-3-(1-phenyltetrazol-5-yl)sulfanylpropan-1-amine

C17H18FN5S — CID 6485927

IUPACN-[(2-fluorophenyl)methyl]-3-(1-phenyltetrazol-5-yl)sulfanylpropan-1-amine
SMILESFc1ccccc1CNCCCSc1nnnn1-c1ccccc1
InChIInChI=1S/C17H18FN5S/c18-16-10-5-4-7-14(16)13-19-11-6-12-24-17-20-21-22-23(17)15-8-2-1-3-9-15/h1-5,7-10,19H,6,11-13H2
InChIKeyAYGQWLHOMJRPSF-UHFFFAOYSA-N
MW343.43 g/mol
LogP3.07
Rot. Bonds8

About N-[(2-fluorophenyl)methyl]-3-(1-phenyltetrazol-5-yl)sulfanylpropan-1-amine

N-[(2-fluorophenyl)methyl]-3-(1-phenyltetrazol-5-yl)sulfanylpropan-1-amine (PubChem CID 6485927) has the molecular formula C17H18FN5S and a molecular weight of 343.43 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-3-(1-phenyltetrazol-5-yl)sulfanylpropan-1-amine.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-3-(1-phenyltetrazol-5-yl)sulfanylpropan-1-amine
PubChem CID6485927
Molecular FormulaC17H18FN5S
Molecular Weight343.43 g/mol
Exact Mass343.13
IUPAC NameN-[(2-fluorophenyl)methyl]-3-(1-phenyltetrazol-5-yl)sulfanylpropan-1-amine
SMILESFc1ccccc1CNCCCSc1nnnn1-c1ccccc1
InChIInChI=1S/C17H18FN5S/c18-16-10-5-4-7-14(16)13-19-11-6-12-24-17-20-21-22-23(17)15-8-2-1-3-9-15/h1-5,7-10,19H,6,11-13H2
InChIKeyAYGQWLHOMJRPSF-UHFFFAOYSA-N
XLogP3.07
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-(benzylsulfanyl)-1-phenyl-1H-1,2,3,4-tetrazole
CID 684006
2-[1-(3,4-Dimethyl-phenyl)-1H-tetrazol-5-ylsulfanyl]-N-phenethyl-acetamide
CID 562730
3-(benzylsulfanyl)-1-methyl-N-phenyl-1H-1,2,4-triazol-5-amine
CID 16756166
n-[2-(2-Fluorophenyl)ethyl]-1-phenyl-1h-1,2,3,4-tetrazol-5-amine
CID 644714
N-(2-methylphenyl)-3-[(1-phenyl-1H-tetraazol-5-yl)sulfanyl]propanamide
CID 851332
1-(2-Methylphenyl)-5-(2-methylpropylsulfanyl)tetrazole
CID 2480677
1-phenyl-N-(2-phenylethyl)tetrazol-5-amine
CID 2499895
N-(2-chlorobenzyl)-3-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]propan-1-amine
CID 8035321
1-(2-Fluorophenyl)-5-{[(2-fluorophenyl)methyl]sulfanyl}-1H-1,2,3,4-tetrazole
CID 777329
5-((3-methylbenzyl)thio)-1-phenyl-1H-tetrazole
CID 877459
N-(2,3-dimethylphenyl)-2-[1-(2-fluorophenyl)tetrazol-5-yl]sulfanylacetamide
CID 1015987
2-{[1-(2,4-difluorophenyl)-1H-tetrazol-5-yl]sulfanyl}-N-(2,6-dimethylphenyl)acetamide
CID 1038842

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-3-(1-phenyltetrazol-5-yl)sulfanylpropan-1-amine?
The IUPAC name of N-[(2-fluorophenyl)methyl]-3-(1-phenyltetrazol-5-yl)sulfanylpropan-1-amine (CID 6485927) is N-[(2-fluorophenyl)methyl]-3-(1-phenyltetrazol-5-yl)sulfanylpropan-1-amine.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-3-(1-phenyltetrazol-5-yl)sulfanylpropan-1-amine?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-3-(1-phenyltetrazol-5-yl)sulfanylpropan-1-amine is Fc1ccccc1CNCCCSc1nnnn1-c1ccccc1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-3-(1-phenyltetrazol-5-yl)sulfanylpropan-1-amine?
The InChIKey is AYGQWLHOMJRPSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN5S/c18-16-10-5-4-7-14(16)13-19-11-6-12-24-17-20-21-22-23(17)15-8-2-1-3-9-15/h1-5,7-10,19H,6,11-13H2.
What are the key properties of N-[(2-fluorophenyl)methyl]-3-(1-phenyltetrazol-5-yl)sulfanylpropan-1-amine?
N-[(2-fluorophenyl)methyl]-3-(1-phenyltetrazol-5-yl)sulfanylpropan-1-amine has a molecular weight of 343.43 g/mol, XLogP of 3.07, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-3-(1-phenyltetrazol-5-yl)sulfanylpropan-1-amine is sourced from PubChem (CID 6485927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).