6-(5-chlorothiophen-2-yl)-3-(3-fluorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine

C14H8ClFN4S2 — CID 15994413

IUPAC6-(5-chlorothiophen-2-yl)-3-(3-fluorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
SMILESFc1cccc(-c2nnc3n2N=C(c2ccc(Cl)s2)CS3)c1
InChIInChI=1S/C14H8ClFN4S2/c15-12-5-4-11(22-12)10-7-21-14-18-17-13(20(14)19-10)8-2-1-3-9(16)6-8/h1-6H,7H2
InChIKeyLMYUGKUICAJOGO-UHFFFAOYSA-N
MW350.83 g/mol
LogP4.16
Rot. Bonds2

About 6-(5-chlorothiophen-2-yl)-3-(3-fluorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine

6-(5-chlorothiophen-2-yl)-3-(3-fluorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine (PubChem CID 15994413) has the molecular formula C14H8ClFN4S2 and a molecular weight of 350.83 g/mol. Its IUPAC name is 6-(5-chlorothiophen-2-yl)-3-(3-fluorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine.

Molecular Properties

Compound Name6-(5-chlorothiophen-2-yl)-3-(3-fluorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
PubChem CID15994413
Molecular FormulaC14H8ClFN4S2
Molecular Weight350.83 g/mol
Exact Mass349.99
IUPAC Name6-(5-chlorothiophen-2-yl)-3-(3-fluorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
SMILESFc1cccc(-c2nnc3n2N=C(c2ccc(Cl)s2)CS3)c1
InChIInChI=1S/C14H8ClFN4S2/c15-12-5-4-11(22-12)10-7-21-14-18-17-13(20(14)19-10)8-2-1-3-9(16)6-8/h1-6H,7H2
InChIKeyLMYUGKUICAJOGO-UHFFFAOYSA-N
XLogP4.16
TPSA43.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.83
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(5-chlorothiophen-2-yl)-3-(3-fluorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine?
The IUPAC name of 6-(5-chlorothiophen-2-yl)-3-(3-fluorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine (CID 15994413) is 6-(5-chlorothiophen-2-yl)-3-(3-fluorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine.
What is the SMILES notation for 6-(5-chlorothiophen-2-yl)-3-(3-fluorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine?
The canonical SMILES for 6-(5-chlorothiophen-2-yl)-3-(3-fluorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine is Fc1cccc(-c2nnc3n2N=C(c2ccc(Cl)s2)CS3)c1.
What is the InChIKey of 6-(5-chlorothiophen-2-yl)-3-(3-fluorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine?
The InChIKey is LMYUGKUICAJOGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClFN4S2/c15-12-5-4-11(22-12)10-7-21-14-18-17-13(20(14)19-10)8-2-1-3-9(16)6-8/h1-6H,7H2.
What are the key properties of 6-(5-chlorothiophen-2-yl)-3-(3-fluorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine?
6-(5-chlorothiophen-2-yl)-3-(3-fluorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine has a molecular weight of 350.83 g/mol, XLogP of 4.16, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-chlorothiophen-2-yl)-3-(3-fluorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine is sourced from PubChem (CID 15994413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).