6-(3-chloro-4-ethoxyphenyl)-3-phenyl-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine

C18H15ClN4OS — CID 4165474

IUPAC6-(3-chloro-4-ethoxyphenyl)-3-phenyl-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
SMILESCCOc1ccc(C2=CSc3nnc(-c4ccccc4)n3N2)cc1Cl
InChIInChI=1S/C18H15ClN4OS/c1-2-24-16-9-8-13(10-14(16)19)15-11-25-18-21-20-17(23(18)22-15)12-6-4-3-5-7-12/h3-11,22H,2H2,1H3
InChIKeyRLFQPMORBJCKFB-UHFFFAOYSA-N
MW370.87 g/mol
LogP4.64
Rot. Bonds4

About 6-(3-chloro-4-ethoxyphenyl)-3-phenyl-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine

6-(3-chloro-4-ethoxyphenyl)-3-phenyl-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine (PubChem CID 4165474) has the molecular formula C18H15ClN4OS and a molecular weight of 370.87 g/mol. Its IUPAC name is 6-(3-chloro-4-ethoxyphenyl)-3-phenyl-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine.

Molecular Properties

Compound Name6-(3-chloro-4-ethoxyphenyl)-3-phenyl-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
PubChem CID4165474
Molecular FormulaC18H15ClN4OS
Molecular Weight370.87 g/mol
Exact Mass370.07
IUPAC Name6-(3-chloro-4-ethoxyphenyl)-3-phenyl-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
SMILESCCOc1ccc(C2=CSc3nnc(-c4ccccc4)n3N2)cc1Cl
InChIInChI=1S/C18H15ClN4OS/c1-2-24-16-9-8-13(10-14(16)19)15-11-25-18-21-20-17(23(18)22-15)12-6-4-3-5-7-12/h3-11,22H,2H2,1H3
InChIKeyRLFQPMORBJCKFB-UHFFFAOYSA-N
XLogP4.64
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.87
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(3-chloro-4-ethoxyphenyl)-3-phenyl-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine?
The IUPAC name of 6-(3-chloro-4-ethoxyphenyl)-3-phenyl-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine (CID 4165474) is 6-(3-chloro-4-ethoxyphenyl)-3-phenyl-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine.
What is the SMILES notation for 6-(3-chloro-4-ethoxyphenyl)-3-phenyl-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine?
The canonical SMILES for 6-(3-chloro-4-ethoxyphenyl)-3-phenyl-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine is CCOc1ccc(C2=CSc3nnc(-c4ccccc4)n3N2)cc1Cl.
What is the InChIKey of 6-(3-chloro-4-ethoxyphenyl)-3-phenyl-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine?
The InChIKey is RLFQPMORBJCKFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN4OS/c1-2-24-16-9-8-13(10-14(16)19)15-11-25-18-21-20-17(23(18)22-15)12-6-4-3-5-7-12/h3-11,22H,2H2,1H3.
What are the key properties of 6-(3-chloro-4-ethoxyphenyl)-3-phenyl-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine?
6-(3-chloro-4-ethoxyphenyl)-3-phenyl-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine has a molecular weight of 370.87 g/mol, XLogP of 4.64, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chloro-4-ethoxyphenyl)-3-phenyl-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine is sourced from PubChem (CID 4165474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).