(1S)-1-[4-[5-[[2-(1-phenyltetrazol-5-yl)sulfanylethylamino]methyl]furan-2-yl]phenyl]ethanol

C22H23N5O2S — CID 8639555

IUPAC(1S)-1-[4-[5-[[2-(1-phenyltetrazol-5-yl)sulfanylethylamino]methyl]furan-2-yl]phenyl]ethanol
SMILESC[C@H](O)c1ccc(-c2ccc(CNCCSc3nnnn3-c3ccccc3)o2)cc1
InChIInChI=1S/C22H23N5O2S/c1-16(28)17-7-9-18(10-8-17)21-12-11-20(29-21)15-23-13-14-30-22-24-25-26-27(22)19-5-3-2-4-6-19/h2-12,16,23,28H,13-15H2,1H3/t16-/m0/s1
InChIKeyBSYWTMGXAUWCMW-INIZCTEOSA-N
MW421.53 g/mol
LogP3.86
Rot. Bonds9

About (1S)-1-[4-[5-[[2-(1-phenyltetrazol-5-yl)sulfanylethylamino]methyl]furan-2-yl]phenyl]ethanol

(1S)-1-[4-[5-[[2-(1-phenyltetrazol-5-yl)sulfanylethylamino]methyl]furan-2-yl]phenyl]ethanol (PubChem CID 8639555) has the molecular formula C22H23N5O2S and a molecular weight of 421.53 g/mol. Its IUPAC name is (1S)-1-[4-[5-[[2-(1-phenyltetrazol-5-yl)sulfanylethylamino]methyl]furan-2-yl]phenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[4-[5-[[2-(1-phenyltetrazol-5-yl)sulfanylethylamino]methyl]furan-2-yl]phenyl]ethanol
PubChem CID8639555
Molecular FormulaC22H23N5O2S
Molecular Weight421.53 g/mol
Exact Mass421.16
IUPAC Name(1S)-1-[4-[5-[[2-(1-phenyltetrazol-5-yl)sulfanylethylamino]methyl]furan-2-yl]phenyl]ethanol
SMILESC[C@H](O)c1ccc(-c2ccc(CNCCSc3nnnn3-c3ccccc3)o2)cc1
InChIInChI=1S/C22H23N5O2S/c1-16(28)17-7-9-18(10-8-17)21-12-11-20(29-21)15-23-13-14-30-22-24-25-26-27(22)19-5-3-2-4-6-19/h2-12,16,23,28H,13-15H2,1H3/t16-/m0/s1
InChIKeyBSYWTMGXAUWCMW-INIZCTEOSA-N
XLogP3.86
TPSA89.00 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.53
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze (1S)-1-[4-[5-[[2-(1-phenyltetrazol-5-yl)sulfanylethylamino]methyl]furan-2-yl]phenyl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(5-phenylfuran-2-yl)methyl]-2-(1-phenyltetrazol-5-yl)sulfanylethanamine;hydrochloride
CID 17060084
N-[[5-(4-bromophenyl)furan-2-yl]methyl]-3-(1-phenyltetrazol-5-yl)sulfanylpropan-1-amine
CID 17123316
methyl 4-[5-[[3-(1-phenyltetrazol-5-yl)sulfanylpropylamino]methyl]furan-2-yl]benzoate;hydrochloride
CID 17333417
N-[[5-(2,4-dibromophenyl)furan-2-yl]methyl]-2-(1-phenyltetrazol-5-yl)sulfanylethanamine
CID 17213098
N-[[5-(4-bromo-3-methylphenyl)furan-2-yl]methyl]-2-(1-methyltetrazol-5-yl)sulfanylethanamine;hydrochloride
CID 17056325
(1S)-1-[4-[5-[[(5-aminotetrazol-1-yl)amino]methyl]furan-2-yl]phenyl]ethanol
CID 8705168
1-[4-[5-[[(5-aminotetrazol-1-yl)amino]methyl]furan-2-yl]phenyl]ethanol
CID 4727129
3-methyl-N-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]butan-2-amine
CID 62577666
1-[4-[5-[[2-(dimethylamino)ethylamino]methyl]furan-2-yl]phenyl]ethanol
CID 4725000
N-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]pentan-1-amine
CID 62577878
N',N'-dimethyl-N-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]ethane-1,2-diamine
CID 62578094
N-[(1-methylindol-3-yl)methyl]-2-(1-phenyltetrazol-5-yl)sulfanylethanamine
CID 125114504

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[4-[5-[[2-(1-phenyltetrazol-5-yl)sulfanylethylamino]methyl]furan-2-yl]phenyl]ethanol?
The IUPAC name of (1S)-1-[4-[5-[[2-(1-phenyltetrazol-5-yl)sulfanylethylamino]methyl]furan-2-yl]phenyl]ethanol (CID 8639555) is (1S)-1-[4-[5-[[2-(1-phenyltetrazol-5-yl)sulfanylethylamino]methyl]furan-2-yl]phenyl]ethanol.
What is the SMILES notation for (1S)-1-[4-[5-[[2-(1-phenyltetrazol-5-yl)sulfanylethylamino]methyl]furan-2-yl]phenyl]ethanol?
The canonical SMILES for (1S)-1-[4-[5-[[2-(1-phenyltetrazol-5-yl)sulfanylethylamino]methyl]furan-2-yl]phenyl]ethanol is C[C@H](O)c1ccc(-c2ccc(CNCCSc3nnnn3-c3ccccc3)o2)cc1.
What is the InChIKey of (1S)-1-[4-[5-[[2-(1-phenyltetrazol-5-yl)sulfanylethylamino]methyl]furan-2-yl]phenyl]ethanol?
The InChIKey is BSYWTMGXAUWCMW-INIZCTEOSA-N. The full InChI is InChI=1S/C22H23N5O2S/c1-16(28)17-7-9-18(10-8-17)21-12-11-20(29-21)15-23-13-14-30-22-24-25-26-27(22)19-5-3-2-4-6-19/h2-12,16,23,28H,13-15H2,1H3/t16-/m0/s1.
What are the key properties of (1S)-1-[4-[5-[[2-(1-phenyltetrazol-5-yl)sulfanylethylamino]methyl]furan-2-yl]phenyl]ethanol?
(1S)-1-[4-[5-[[2-(1-phenyltetrazol-5-yl)sulfanylethylamino]methyl]furan-2-yl]phenyl]ethanol has a molecular weight of 421.53 g/mol, XLogP of 3.86, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[4-[5-[[2-(1-phenyltetrazol-5-yl)sulfanylethylamino]methyl]furan-2-yl]phenyl]ethanol is sourced from PubChem (CID 8639555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).