(Z)-3-phenyl-N-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]prop-2-en-1-amine

C18H19N5S — CID 98438129

IUPAC(Z)-3-phenyl-N-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]prop-2-en-1-amine
SMILESC(=C\c1ccccc1)\CNCCSc1nnnn1-c1ccccc1
InChIInChI=1S/C18H19N5S/c1-3-8-16(9-4-1)10-7-13-19-14-15-24-18-20-21-22-23(18)17-11-5-2-6-12-17/h1-12,19H,13-15H2/b10-7-
InChIKeyHMUNARJHOFUDAM-YFHOEESVSA-N
MW337.45 g/mol
LogP3.06
Rot. Bonds8

About (Z)-3-phenyl-N-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]prop-2-en-1-amine

(Z)-3-phenyl-N-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]prop-2-en-1-amine (PubChem CID 98438129) has the molecular formula C18H19N5S and a molecular weight of 337.45 g/mol. Its IUPAC name is (Z)-3-phenyl-N-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]prop-2-en-1-amine.

Molecular Properties

Compound Name(Z)-3-phenyl-N-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]prop-2-en-1-amine
PubChem CID98438129
Molecular FormulaC18H19N5S
Molecular Weight337.45 g/mol
Exact Mass337.14
IUPAC Name(Z)-3-phenyl-N-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]prop-2-en-1-amine
SMILESC(=C\c1ccccc1)\CNCCSc1nnnn1-c1ccccc1
InChIInChI=1S/C18H19N5S/c1-3-8-16(9-4-1)10-7-13-19-14-15-24-18-20-21-22-23(18)17-11-5-2-6-12-17/h1-12,19H,13-15H2/b10-7-
InChIKeyHMUNARJHOFUDAM-YFHOEESVSA-N
XLogP3.06
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 53.06
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

N-[(Z)-3-(4-chlorophenyl)prop-2-enyl]-3-(1-phenyltetrazol-5-yl)sulfanylpropan-1-amine
CID 93073160
N-[(E)-3-(4-chlorophenyl)prop-2-enyl]-3-(1-phenyltetrazol-5-yl)sulfanylpropan-1-amine;hydrochloride
CID 17333681
N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]-3-phenylprop-2-en-1-amine;hydrochloride
CID 2978872
N',N'-dimethyl-N-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]ethane-1,2-diamine
CID 62578094
N-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]pentan-1-amine
CID 62577878
1-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]-3-prop-2-enylthiourea
CID 7573949
2-(1-phenyltetrazol-5-yl)sulfanyl-N-[(4-prop-2-enoxyphenyl)methyl]ethanamine;hydrochloride
CID 17296091
3-methyl-N-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]butan-2-amine
CID 62577666
4-(1-phenyltetrazol-5-yl)sulfanyl-N-propylbutan-1-amine
CID 62579162
4-(1-phenyltetrazol-5-yl)sulfanylbut-2-en-1-amine
CID 77110853
dimethyl-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]azanium
CID 4064141
N-[(5-phenylfuran-2-yl)methyl]-2-(1-phenyltetrazol-5-yl)sulfanylethanamine;hydrochloride
CID 17060084

Frequently Asked Questions

What is the IUPAC name of (Z)-3-phenyl-N-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]prop-2-en-1-amine?
The IUPAC name of (Z)-3-phenyl-N-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]prop-2-en-1-amine (CID 98438129) is (Z)-3-phenyl-N-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]prop-2-en-1-amine.
What is the SMILES notation for (Z)-3-phenyl-N-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]prop-2-en-1-amine?
The canonical SMILES for (Z)-3-phenyl-N-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]prop-2-en-1-amine is C(=C\c1ccccc1)\CNCCSc1nnnn1-c1ccccc1.
What is the InChIKey of (Z)-3-phenyl-N-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]prop-2-en-1-amine?
The InChIKey is HMUNARJHOFUDAM-YFHOEESVSA-N. The full InChI is InChI=1S/C18H19N5S/c1-3-8-16(9-4-1)10-7-13-19-14-15-24-18-20-21-22-23(18)17-11-5-2-6-12-17/h1-12,19H,13-15H2/b10-7-.
What are the key properties of (Z)-3-phenyl-N-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]prop-2-en-1-amine?
(Z)-3-phenyl-N-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]prop-2-en-1-amine has a molecular weight of 337.45 g/mol, XLogP of 3.06, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-phenyl-N-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]prop-2-en-1-amine is sourced from PubChem (CID 98438129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).