(Z)-N-(1-benzyl-3-phenylpyrazol-5-yl)-4-chlorodithiazol-5-imine

C18H13ClN4S2 — CID 164626133

IUPAC(Z)-N-(1-benzyl-3-phenylpyrazol-5-yl)-4-chlorodithiazol-5-imine
SMILESClc1nss/c1=N\c1cc(-c2ccccc2)nn1Cc1ccccc1
InChIInChI=1S/C18H13ClN4S2/c19-17-18(24-25-22-17)20-16-11-15(14-9-5-2-6-10-14)21-23(16)12-13-7-3-1-4-8-13/h1-11H,12H2/b20-18-
InChIKeyAZVAIDBGFYQEQH-ZZEZOPTASA-N
MW384.92 g/mol
LogP5.00
Rot. Bonds4

About (Z)-N-(1-benzyl-3-phenylpyrazol-5-yl)-4-chlorodithiazol-5-imine

(Z)-N-(1-benzyl-3-phenylpyrazol-5-yl)-4-chlorodithiazol-5-imine (PubChem CID 164626133) has the molecular formula C18H13ClN4S2 and a molecular weight of 384.92 g/mol. Its IUPAC name is (Z)-N-(1-benzyl-3-phenylpyrazol-5-yl)-4-chlorodithiazol-5-imine.

Molecular Properties

Compound Name(Z)-N-(1-benzyl-3-phenylpyrazol-5-yl)-4-chlorodithiazol-5-imine
PubChem CID164626133
Molecular FormulaC18H13ClN4S2
Molecular Weight384.92 g/mol
Exact Mass384.03
IUPAC Name(Z)-N-(1-benzyl-3-phenylpyrazol-5-yl)-4-chlorodithiazol-5-imine
SMILESClc1nss/c1=N\c1cc(-c2ccccc2)nn1Cc1ccccc1
InChIInChI=1S/C18H13ClN4S2/c19-17-18(24-25-22-17)20-16-11-15(14-9-5-2-6-10-14)21-23(16)12-13-7-3-1-4-8-13/h1-11H,12H2/b20-18-
InChIKeyAZVAIDBGFYQEQH-ZZEZOPTASA-N
XLogP5.00
TPSA43.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.92
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (Z)-N-(1-benzyl-3-phenylpyrazol-5-yl)-4-chlorodithiazol-5-imine?
The IUPAC name of (Z)-N-(1-benzyl-3-phenylpyrazol-5-yl)-4-chlorodithiazol-5-imine (CID 164626133) is (Z)-N-(1-benzyl-3-phenylpyrazol-5-yl)-4-chlorodithiazol-5-imine.
What is the SMILES notation for (Z)-N-(1-benzyl-3-phenylpyrazol-5-yl)-4-chlorodithiazol-5-imine?
The canonical SMILES for (Z)-N-(1-benzyl-3-phenylpyrazol-5-yl)-4-chlorodithiazol-5-imine is Clc1nss/c1=N\c1cc(-c2ccccc2)nn1Cc1ccccc1.
What is the InChIKey of (Z)-N-(1-benzyl-3-phenylpyrazol-5-yl)-4-chlorodithiazol-5-imine?
The InChIKey is AZVAIDBGFYQEQH-ZZEZOPTASA-N. The full InChI is InChI=1S/C18H13ClN4S2/c19-17-18(24-25-22-17)20-16-11-15(14-9-5-2-6-10-14)21-23(16)12-13-7-3-1-4-8-13/h1-11H,12H2/b20-18-.
What are the key properties of (Z)-N-(1-benzyl-3-phenylpyrazol-5-yl)-4-chlorodithiazol-5-imine?
(Z)-N-(1-benzyl-3-phenylpyrazol-5-yl)-4-chlorodithiazol-5-imine has a molecular weight of 384.92 g/mol, XLogP of 5.00, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(1-benzyl-3-phenylpyrazol-5-yl)-4-chlorodithiazol-5-imine is sourced from PubChem (CID 164626133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).