6-(4-chlorophenyl)-3-[(4-methoxyphenyl)methyl]-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine

C18H15ClN4OS — CID 7385684

IUPAC6-(4-chlorophenyl)-3-[(4-methoxyphenyl)methyl]-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
SMILESCOc1ccc(Cc2nnc3n2N=C(c2ccc(Cl)cc2)CS3)cc1
InChIInChI=1S/C18H15ClN4OS/c1-24-15-8-2-12(3-9-15)10-17-20-21-18-23(17)22-16(11-25-18)13-4-6-14(19)7-5-13/h2-9H,10-11H2,1H3
InChIKeyAYZHZZFXCYBVBO-UHFFFAOYSA-N
MW370.87 g/mol
LogP3.89
Rot. Bonds4

About 6-(4-chlorophenyl)-3-[(4-methoxyphenyl)methyl]-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine

6-(4-chlorophenyl)-3-[(4-methoxyphenyl)methyl]-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine (PubChem CID 7385684) has the molecular formula C18H15ClN4OS and a molecular weight of 370.87 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-3-[(4-methoxyphenyl)methyl]-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine.

Molecular Properties

Compound Name6-(4-chlorophenyl)-3-[(4-methoxyphenyl)methyl]-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
PubChem CID7385684
Molecular FormulaC18H15ClN4OS
Molecular Weight370.87 g/mol
Exact Mass370.07
IUPAC Name6-(4-chlorophenyl)-3-[(4-methoxyphenyl)methyl]-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
SMILESCOc1ccc(Cc2nnc3n2N=C(c2ccc(Cl)cc2)CS3)cc1
InChIInChI=1S/C18H15ClN4OS/c1-24-15-8-2-12(3-9-15)10-17-20-21-18-23(17)22-16(11-25-18)13-4-6-14(19)7-5-13/h2-9H,10-11H2,1H3
InChIKeyAYZHZZFXCYBVBO-UHFFFAOYSA-N
XLogP3.89
TPSA52.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.87
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-3-[(4-methoxyphenyl)methyl]-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine?
The IUPAC name of 6-(4-chlorophenyl)-3-[(4-methoxyphenyl)methyl]-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine (CID 7385684) is 6-(4-chlorophenyl)-3-[(4-methoxyphenyl)methyl]-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine.
What is the SMILES notation for 6-(4-chlorophenyl)-3-[(4-methoxyphenyl)methyl]-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine?
The canonical SMILES for 6-(4-chlorophenyl)-3-[(4-methoxyphenyl)methyl]-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine is COc1ccc(Cc2nnc3n2N=C(c2ccc(Cl)cc2)CS3)cc1.
What is the InChIKey of 6-(4-chlorophenyl)-3-[(4-methoxyphenyl)methyl]-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine?
The InChIKey is AYZHZZFXCYBVBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN4OS/c1-24-15-8-2-12(3-9-15)10-17-20-21-18-23(17)22-16(11-25-18)13-4-6-14(19)7-5-13/h2-9H,10-11H2,1H3.
What are the key properties of 6-(4-chlorophenyl)-3-[(4-methoxyphenyl)methyl]-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine?
6-(4-chlorophenyl)-3-[(4-methoxyphenyl)methyl]-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine has a molecular weight of 370.87 g/mol, XLogP of 3.89, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-3-[(4-methoxyphenyl)methyl]-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine is sourced from PubChem (CID 7385684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).