(Z)-1-(4-chlorophenyl)-N-(5-phenyl-5H-[1,3]thiazolo[4,3-b][1,3,4]thiadiazol-2-yl)methanimine

C17H12ClN3S2 — CID 71597201

IUPAC(Z)-1-(4-chlorophenyl)-N-(5-phenyl-5H-[1,3]thiazolo[4,3-b][1,3,4]thiadiazol-2-yl)methanimine
SMILESClc1ccc(/C=N\C2=NN3C(=CSC3c3ccccc3)S2)cc1
InChIInChI=1S/C17H12ClN3S2/c18-14-8-6-12(7-9-14)10-19-17-20-21-15(23-17)11-22-16(21)13-4-2-1-3-5-13/h1-11,16H/b19-10-
InChIKeyCSTJWZJVYLHCKH-GRSHGNNSSA-N
MW357.89 g/mol
LogP5.32
Rot. Bonds2

About (Z)-1-(4-chlorophenyl)-N-(5-phenyl-5H-[1,3]thiazolo[4,3-b][1,3,4]thiadiazol-2-yl)methanimine

(Z)-1-(4-chlorophenyl)-N-(5-phenyl-5H-[1,3]thiazolo[4,3-b][1,3,4]thiadiazol-2-yl)methanimine (PubChem CID 71597201) has the molecular formula C17H12ClN3S2 and a molecular weight of 357.89 g/mol. Its IUPAC name is (Z)-1-(4-chlorophenyl)-N-(5-phenyl-5H-[1,3]thiazolo[4,3-b][1,3,4]thiadiazol-2-yl)methanimine.

Molecular Properties

Compound Name(Z)-1-(4-chlorophenyl)-N-(5-phenyl-5H-[1,3]thiazolo[4,3-b][1,3,4]thiadiazol-2-yl)methanimine
PubChem CID71597201
Molecular FormulaC17H12ClN3S2
Molecular Weight357.89 g/mol
Exact Mass357.02
IUPAC Name(Z)-1-(4-chlorophenyl)-N-(5-phenyl-5H-[1,3]thiazolo[4,3-b][1,3,4]thiadiazol-2-yl)methanimine
SMILESClc1ccc(/C=N\C2=NN3C(=CSC3c3ccccc3)S2)cc1
InChIInChI=1S/C17H12ClN3S2/c18-14-8-6-12(7-9-14)10-19-17-20-21-15(23-17)11-22-16(21)13-4-2-1-3-5-13/h1-11,16H/b19-10-
InChIKeyCSTJWZJVYLHCKH-GRSHGNNSSA-N
XLogP5.32
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.89
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-1-(4-chlorophenyl)-N-(5-phenyl-5H-[1,3]thiazolo[4,3-b][1,3,4]thiadiazol-2-yl)methanimine?
The IUPAC name of (Z)-1-(4-chlorophenyl)-N-(5-phenyl-5H-[1,3]thiazolo[4,3-b][1,3,4]thiadiazol-2-yl)methanimine (CID 71597201) is (Z)-1-(4-chlorophenyl)-N-(5-phenyl-5H-[1,3]thiazolo[4,3-b][1,3,4]thiadiazol-2-yl)methanimine.
What is the SMILES notation for (Z)-1-(4-chlorophenyl)-N-(5-phenyl-5H-[1,3]thiazolo[4,3-b][1,3,4]thiadiazol-2-yl)methanimine?
The canonical SMILES for (Z)-1-(4-chlorophenyl)-N-(5-phenyl-5H-[1,3]thiazolo[4,3-b][1,3,4]thiadiazol-2-yl)methanimine is Clc1ccc(/C=N\C2=NN3C(=CSC3c3ccccc3)S2)cc1.
What is the InChIKey of (Z)-1-(4-chlorophenyl)-N-(5-phenyl-5H-[1,3]thiazolo[4,3-b][1,3,4]thiadiazol-2-yl)methanimine?
The InChIKey is CSTJWZJVYLHCKH-GRSHGNNSSA-N. The full InChI is InChI=1S/C17H12ClN3S2/c18-14-8-6-12(7-9-14)10-19-17-20-21-15(23-17)11-22-16(21)13-4-2-1-3-5-13/h1-11,16H/b19-10-.
What are the key properties of (Z)-1-(4-chlorophenyl)-N-(5-phenyl-5H-[1,3]thiazolo[4,3-b][1,3,4]thiadiazol-2-yl)methanimine?
(Z)-1-(4-chlorophenyl)-N-(5-phenyl-5H-[1,3]thiazolo[4,3-b][1,3,4]thiadiazol-2-yl)methanimine has a molecular weight of 357.89 g/mol, XLogP of 5.32, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(4-chlorophenyl)-N-(5-phenyl-5H-[1,3]thiazolo[4,3-b][1,3,4]thiadiazol-2-yl)methanimine is sourced from PubChem (CID 71597201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).