6-[5-(2-chlorophenyl)-2-methylfuran-3-yl]-3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

C15H11ClN4OS — CID 18824062

IUPAC6-[5-(2-chlorophenyl)-2-methylfuran-3-yl]-3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESCc1oc(-c2ccccc2Cl)cc1-c1nn2c(C)nnc2s1
InChIInChI=1S/C15H11ClN4OS/c1-8-11(14-19-20-9(2)17-18-15(20)22-14)7-13(21-8)10-5-3-4-6-12(10)16/h3-7H,1-2H3
InChIKeyKMVNHXASVWDYGE-UHFFFAOYSA-N
MW330.80 g/mol
LogP4.38
Rot. Bonds2

About 6-[5-(2-chlorophenyl)-2-methylfuran-3-yl]-3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

6-[5-(2-chlorophenyl)-2-methylfuran-3-yl]-3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (PubChem CID 18824062) has the molecular formula C15H11ClN4OS and a molecular weight of 330.80 g/mol. Its IUPAC name is 6-[5-(2-chlorophenyl)-2-methylfuran-3-yl]-3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name6-[5-(2-chlorophenyl)-2-methylfuran-3-yl]-3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
PubChem CID18824062
Molecular FormulaC15H11ClN4OS
Molecular Weight330.80 g/mol
Exact Mass330.03
IUPAC Name6-[5-(2-chlorophenyl)-2-methylfuran-3-yl]-3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESCc1oc(-c2ccccc2Cl)cc1-c1nn2c(C)nnc2s1
InChIInChI=1S/C15H11ClN4OS/c1-8-11(14-19-20-9(2)17-18-15(20)22-14)7-13(21-8)10-5-3-4-6-12(10)16/h3-7H,1-2H3
InChIKeyKMVNHXASVWDYGE-UHFFFAOYSA-N
XLogP4.38
TPSA56.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.80
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-[5-(2-chlorophenyl)-2-methylfuran-3-yl]-3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[5-(2-chlorophenyl)-2-methylfuran-3-yl]-3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The IUPAC name of 6-[5-(2-chlorophenyl)-2-methylfuran-3-yl]-3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (CID 18824062) is 6-[5-(2-chlorophenyl)-2-methylfuran-3-yl]-3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
What is the SMILES notation for 6-[5-(2-chlorophenyl)-2-methylfuran-3-yl]-3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The canonical SMILES for 6-[5-(2-chlorophenyl)-2-methylfuran-3-yl]-3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is Cc1oc(-c2ccccc2Cl)cc1-c1nn2c(C)nnc2s1.
What is the InChIKey of 6-[5-(2-chlorophenyl)-2-methylfuran-3-yl]-3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The InChIKey is KMVNHXASVWDYGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN4OS/c1-8-11(14-19-20-9(2)17-18-15(20)22-14)7-13(21-8)10-5-3-4-6-12(10)16/h3-7H,1-2H3.
What are the key properties of 6-[5-(2-chlorophenyl)-2-methylfuran-3-yl]-3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
6-[5-(2-chlorophenyl)-2-methylfuran-3-yl]-3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole has a molecular weight of 330.80 g/mol, XLogP of 4.38, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(2-chlorophenyl)-2-methylfuran-3-yl]-3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is sourced from PubChem (CID 18824062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).