4-(4-fluorophenyl)-N-phenyldithiazol-5-imine

C14H9FN2S2 — CID 44569425

IUPAC4-(4-fluorophenyl)-N-phenyldithiazol-5-imine
SMILESFc1ccc(-c2nss/c2=N\c2ccccc2)cc1
InChIInChI=1S/C14H9FN2S2/c15-11-8-6-10(7-9-11)13-14(18-19-17-13)16-12-4-2-1-3-5-12/h1-9H/b16-14-
InChIKeyXJBKMTVTPLBNOR-PEZBUJJGSA-N
MW288.37 g/mol
LogP4.24
Rot. Bonds2

About 4-(4-fluorophenyl)-N-phenyldithiazol-5-imine

4-(4-fluorophenyl)-N-phenyldithiazol-5-imine (PubChem CID 44569425) has the molecular formula C14H9FN2S2 and a molecular weight of 288.37 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-N-phenyldithiazol-5-imine.

Molecular Properties

Compound Name4-(4-fluorophenyl)-N-phenyldithiazol-5-imine
PubChem CID44569425
Molecular FormulaC14H9FN2S2
Molecular Weight288.37 g/mol
Exact Mass288.02
IUPAC Name4-(4-fluorophenyl)-N-phenyldithiazol-5-imine
SMILESFc1ccc(-c2nss/c2=N\c2ccccc2)cc1
InChIInChI=1S/C14H9FN2S2/c15-11-8-6-10(7-9-11)13-14(18-19-17-13)16-12-4-2-1-3-5-12/h1-9H/b16-14-
InChIKeyXJBKMTVTPLBNOR-PEZBUJJGSA-N
XLogP4.24
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-N-phenyldithiazol-5-imine?
The IUPAC name of 4-(4-fluorophenyl)-N-phenyldithiazol-5-imine (CID 44569425) is 4-(4-fluorophenyl)-N-phenyldithiazol-5-imine.
What is the SMILES notation for 4-(4-fluorophenyl)-N-phenyldithiazol-5-imine?
The canonical SMILES for 4-(4-fluorophenyl)-N-phenyldithiazol-5-imine is Fc1ccc(-c2nss/c2=N\c2ccccc2)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-N-phenyldithiazol-5-imine?
The InChIKey is XJBKMTVTPLBNOR-PEZBUJJGSA-N. The full InChI is InChI=1S/C14H9FN2S2/c15-11-8-6-10(7-9-11)13-14(18-19-17-13)16-12-4-2-1-3-5-12/h1-9H/b16-14-.
What are the key properties of 4-(4-fluorophenyl)-N-phenyldithiazol-5-imine?
4-(4-fluorophenyl)-N-phenyldithiazol-5-imine has a molecular weight of 288.37 g/mol, XLogP of 4.24, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-N-phenyldithiazol-5-imine is sourced from PubChem (CID 44569425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).