2-(4-methoxyphenyl)-5-(4-pyrrolidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole

C18H24N4OS — CID 45377353

IUPAC2-(4-methoxyphenyl)-5-(4-pyrrolidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole
SMILESCOc1ccc(-c2nnc(N3CCC(N4CCCC4)CC3)s2)cc1
InChIInChI=1S/C18H24N4OS/c1-23-16-6-4-14(5-7-16)17-19-20-18(24-17)22-12-8-15(9-13-22)21-10-2-3-11-21/h4-7,15H,2-3,8-13H2,1H3
InChIKeyVVZVXHJCSMIAOW-UHFFFAOYSA-N
MW344.48 g/mol
LogP3.28
Rot. Bonds4

About 2-(4-methoxyphenyl)-5-(4-pyrrolidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole

2-(4-methoxyphenyl)-5-(4-pyrrolidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole (PubChem CID 45377353) has the molecular formula C18H24N4OS and a molecular weight of 344.48 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-5-(4-pyrrolidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-5-(4-pyrrolidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole
PubChem CID45377353
Molecular FormulaC18H24N4OS
Molecular Weight344.48 g/mol
Exact Mass344.17
IUPAC Name2-(4-methoxyphenyl)-5-(4-pyrrolidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole
SMILESCOc1ccc(-c2nnc(N3CCC(N4CCCC4)CC3)s2)cc1
InChIInChI=1S/C18H24N4OS/c1-23-16-6-4-14(5-7-16)17-19-20-18(24-17)22-12-8-15(9-13-22)21-10-2-3-11-21/h4-7,15H,2-3,8-13H2,1H3
InChIKeyVVZVXHJCSMIAOW-UHFFFAOYSA-N
XLogP3.28
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(4-methoxyphenyl)-5-(4-pyrrolidin-1-ylpiperidin-1-yl)-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-(4-methoxyphenyl)-5-(4-pyrrolidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole?
The IUPAC name of 2-(4-methoxyphenyl)-5-(4-pyrrolidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole (CID 45377353) is 2-(4-methoxyphenyl)-5-(4-pyrrolidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-(4-methoxyphenyl)-5-(4-pyrrolidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole?
The canonical SMILES for 2-(4-methoxyphenyl)-5-(4-pyrrolidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole is COc1ccc(-c2nnc(N3CCC(N4CCCC4)CC3)s2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-5-(4-pyrrolidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole?
The InChIKey is VVZVXHJCSMIAOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4OS/c1-23-16-6-4-14(5-7-16)17-19-20-18(24-17)22-12-8-15(9-13-22)21-10-2-3-11-21/h4-7,15H,2-3,8-13H2,1H3.
What are the key properties of 2-(4-methoxyphenyl)-5-(4-pyrrolidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole?
2-(4-methoxyphenyl)-5-(4-pyrrolidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole has a molecular weight of 344.48 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-5-(4-pyrrolidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole is sourced from PubChem (CID 45377353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).