3,4,6-triphenyl-4H-[1,3]thiazolo[2,3-c][1,2,4]triazine

C23H17N3S — CID 5224474

IUPAC3,4,6-triphenyl-4H-[1,3]thiazolo[2,3-c][1,2,4]triazine
SMILESC1=C(c2ccccc2)N2C(=NN=C(c3ccccc3)C2c2ccccc2)S1
InChIInChI=1S/C23H17N3S/c1-4-10-17(11-5-1)20-16-27-23-25-24-21(18-12-6-2-7-13-18)22(26(20)23)19-14-8-3-9-15-19/h1-16,22H
InChIKeyXCNCOCNJJDTECB-UHFFFAOYSA-N
MW367.48 g/mol
LogP5.55
Rot. Bonds3

About 3,4,6-triphenyl-4H-[1,3]thiazolo[2,3-c][1,2,4]triazine

3,4,6-triphenyl-4H-[1,3]thiazolo[2,3-c][1,2,4]triazine (PubChem CID 5224474) has the molecular formula C23H17N3S and a molecular weight of 367.48 g/mol. Its IUPAC name is 3,4,6-triphenyl-4H-[1,3]thiazolo[2,3-c][1,2,4]triazine.

Molecular Properties

Compound Name3,4,6-triphenyl-4H-[1,3]thiazolo[2,3-c][1,2,4]triazine
PubChem CID5224474
Molecular FormulaC23H17N3S
Molecular Weight367.48 g/mol
Exact Mass367.11
IUPAC Name3,4,6-triphenyl-4H-[1,3]thiazolo[2,3-c][1,2,4]triazine
SMILESC1=C(c2ccccc2)N2C(=NN=C(c3ccccc3)C2c2ccccc2)S1
InChIInChI=1S/C23H17N3S/c1-4-10-17(11-5-1)20-16-27-23-25-24-21(18-12-6-2-7-13-18)22(26(20)23)19-14-8-3-9-15-19/h1-16,22H
InChIKeyXCNCOCNJJDTECB-UHFFFAOYSA-N
XLogP5.55
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.48
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,4,6-triphenyl-4H-[1,3]thiazolo[2,3-c][1,2,4]triazine?
The IUPAC name of 3,4,6-triphenyl-4H-[1,3]thiazolo[2,3-c][1,2,4]triazine (CID 5224474) is 3,4,6-triphenyl-4H-[1,3]thiazolo[2,3-c][1,2,4]triazine.
What is the SMILES notation for 3,4,6-triphenyl-4H-[1,3]thiazolo[2,3-c][1,2,4]triazine?
The canonical SMILES for 3,4,6-triphenyl-4H-[1,3]thiazolo[2,3-c][1,2,4]triazine is C1=C(c2ccccc2)N2C(=NN=C(c3ccccc3)C2c2ccccc2)S1.
What is the InChIKey of 3,4,6-triphenyl-4H-[1,3]thiazolo[2,3-c][1,2,4]triazine?
The InChIKey is XCNCOCNJJDTECB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N3S/c1-4-10-17(11-5-1)20-16-27-23-25-24-21(18-12-6-2-7-13-18)22(26(20)23)19-14-8-3-9-15-19/h1-16,22H.
What are the key properties of 3,4,6-triphenyl-4H-[1,3]thiazolo[2,3-c][1,2,4]triazine?
3,4,6-triphenyl-4H-[1,3]thiazolo[2,3-c][1,2,4]triazine has a molecular weight of 367.48 g/mol, XLogP of 5.55, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,6-triphenyl-4H-[1,3]thiazolo[2,3-c][1,2,4]triazine is sourced from PubChem (CID 5224474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).