(1Z)-1-[amino-[(4-fluorophenyl)sulfanylamino]methylidene]-2-naphthalen-1-ylguanidine

C18H16FN5S — CID 176978190

IUPAC(1Z)-1-[amino-[(4-fluorophenyl)sulfanylamino]methylidene]-2-naphthalen-1-ylguanidine
SMILESN/C(=N/C(N)=N/c1cccc2ccccc12)NSc1ccc(F)cc1
InChIInChI=1S/C18H16FN5S/c19-13-8-10-14(11-9-13)25-24-18(21)23-17(20)22-16-7-3-5-12-4-1-2-6-15(12)16/h1-11H,(H5,20,21,22,23,24)
InChIKeyKFHPWJQYYRXVEE-UHFFFAOYSA-N
MW353.43 g/mol
LogP3.54
Rot. Bonds3

About (1Z)-1-[amino-[(4-fluorophenyl)sulfanylamino]methylidene]-2-naphthalen-1-ylguanidine

(1Z)-1-[amino-[(4-fluorophenyl)sulfanylamino]methylidene]-2-naphthalen-1-ylguanidine (PubChem CID 176978190) has the molecular formula C18H16FN5S and a molecular weight of 353.43 g/mol. Its IUPAC name is (1Z)-1-[amino-[(4-fluorophenyl)sulfanylamino]methylidene]-2-naphthalen-1-ylguanidine.

Molecular Properties

Compound Name(1Z)-1-[amino-[(4-fluorophenyl)sulfanylamino]methylidene]-2-naphthalen-1-ylguanidine
PubChem CID176978190
Molecular FormulaC18H16FN5S
Molecular Weight353.43 g/mol
Exact Mass353.11
IUPAC Name(1Z)-1-[amino-[(4-fluorophenyl)sulfanylamino]methylidene]-2-naphthalen-1-ylguanidine
SMILESN/C(=N/C(N)=N/c1cccc2ccccc12)NSc1ccc(F)cc1
InChIInChI=1S/C18H16FN5S/c19-13-8-10-14(11-9-13)25-24-18(21)23-17(20)22-16-7-3-5-12-4-1-2-6-15(12)16/h1-11H,(H5,20,21,22,23,24)
InChIKeyKFHPWJQYYRXVEE-UHFFFAOYSA-N
XLogP3.54
TPSA88.79 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 53.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1Z)-1-[amino-[(4-fluorophenyl)sulfanylamino]methylidene]-2-naphthalen-1-ylguanidine?
The IUPAC name of (1Z)-1-[amino-[(4-fluorophenyl)sulfanylamino]methylidene]-2-naphthalen-1-ylguanidine (CID 176978190) is (1Z)-1-[amino-[(4-fluorophenyl)sulfanylamino]methylidene]-2-naphthalen-1-ylguanidine.
What is the SMILES notation for (1Z)-1-[amino-[(4-fluorophenyl)sulfanylamino]methylidene]-2-naphthalen-1-ylguanidine?
The canonical SMILES for (1Z)-1-[amino-[(4-fluorophenyl)sulfanylamino]methylidene]-2-naphthalen-1-ylguanidine is N/C(=N/C(N)=N/c1cccc2ccccc12)NSc1ccc(F)cc1.
What is the InChIKey of (1Z)-1-[amino-[(4-fluorophenyl)sulfanylamino]methylidene]-2-naphthalen-1-ylguanidine?
The InChIKey is KFHPWJQYYRXVEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN5S/c19-13-8-10-14(11-9-13)25-24-18(21)23-17(20)22-16-7-3-5-12-4-1-2-6-15(12)16/h1-11H,(H5,20,21,22,23,24).
What are the key properties of (1Z)-1-[amino-[(4-fluorophenyl)sulfanylamino]methylidene]-2-naphthalen-1-ylguanidine?
(1Z)-1-[amino-[(4-fluorophenyl)sulfanylamino]methylidene]-2-naphthalen-1-ylguanidine has a molecular weight of 353.43 g/mol, XLogP of 3.54, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-1-[amino-[(4-fluorophenyl)sulfanylamino]methylidene]-2-naphthalen-1-ylguanidine is sourced from PubChem (CID 176978190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).