2-(2-methylpyrazol-3-yl)-5-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-1,3,4-thiadiazole

C19H19N7OS — CID 166557351

IUPAC2-(2-methylpyrazol-3-yl)-5-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-1,3,4-thiadiazole
SMILESCn1cnnc1CC1(c2cccc(-c3nnc(-c4ccnn4C)s3)c2)COC1
InChIInChI=1S/C19H19N7OS/c1-25-12-20-22-16(25)9-19(10-27-11-19)14-5-3-4-13(8-14)17-23-24-18(28-17)15-6-7-21-26(15)2/h3-8,12H,9-11H2,1-2H3
InChIKeyWSSIFIBGCDLKQP-UHFFFAOYSA-N
MW393.48 g/mol
LogP2.24
Rot. Bonds5

About 2-(2-methylpyrazol-3-yl)-5-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-1,3,4-thiadiazole

2-(2-methylpyrazol-3-yl)-5-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-1,3,4-thiadiazole (PubChem CID 166557351) has the molecular formula C19H19N7OS and a molecular weight of 393.48 g/mol. Its IUPAC name is 2-(2-methylpyrazol-3-yl)-5-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(2-methylpyrazol-3-yl)-5-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-1,3,4-thiadiazole
PubChem CID166557351
Molecular FormulaC19H19N7OS
Molecular Weight393.48 g/mol
Exact Mass393.14
IUPAC Name2-(2-methylpyrazol-3-yl)-5-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-1,3,4-thiadiazole
SMILESCn1cnnc1CC1(c2cccc(-c3nnc(-c4ccnn4C)s3)c2)COC1
InChIInChI=1S/C19H19N7OS/c1-25-12-20-22-16(25)9-19(10-27-11-19)14-5-3-4-13(8-14)17-23-24-18(28-17)15-6-7-21-26(15)2/h3-8,12H,9-11H2,1-2H3
InChIKeyWSSIFIBGCDLKQP-UHFFFAOYSA-N
XLogP2.24
TPSA83.54 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.48
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 2-(2-methylpyrazol-3-yl)-5-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-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 2-(2-methylpyrazol-3-yl)-5-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-1,3,4-thiadiazole?
The IUPAC name of 2-(2-methylpyrazol-3-yl)-5-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-1,3,4-thiadiazole (CID 166557351) is 2-(2-methylpyrazol-3-yl)-5-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-1,3,4-thiadiazole.
What is the SMILES notation for 2-(2-methylpyrazol-3-yl)-5-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-1,3,4-thiadiazole?
The canonical SMILES for 2-(2-methylpyrazol-3-yl)-5-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-1,3,4-thiadiazole is Cn1cnnc1CC1(c2cccc(-c3nnc(-c4ccnn4C)s3)c2)COC1.
What is the InChIKey of 2-(2-methylpyrazol-3-yl)-5-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-1,3,4-thiadiazole?
The InChIKey is WSSIFIBGCDLKQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N7OS/c1-25-12-20-22-16(25)9-19(10-27-11-19)14-5-3-4-13(8-14)17-23-24-18(28-17)15-6-7-21-26(15)2/h3-8,12H,9-11H2,1-2H3.
What are the key properties of 2-(2-methylpyrazol-3-yl)-5-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-1,3,4-thiadiazole?
2-(2-methylpyrazol-3-yl)-5-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-1,3,4-thiadiazole has a molecular weight of 393.48 g/mol, XLogP of 2.24, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpyrazol-3-yl)-5-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-1,3,4-thiadiazole is sourced from PubChem (CID 166557351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).