2-(4-methylphenyl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole

C19H26N4S — CID 53319171

IUPAC2-(4-methylphenyl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole
SMILESCc1ccc(-c2nnc(N3CCC(N4CCCCC4)CC3)s2)cc1
InChIInChI=1S/C19H26N4S/c1-15-5-7-16(8-6-15)18-20-21-19(24-18)23-13-9-17(10-14-23)22-11-3-2-4-12-22/h5-8,17H,2-4,9-14H2,1H3
InChIKeyRSCFKVDDYPFZTI-UHFFFAOYSA-N
MW342.51 g/mol
LogP3.97
Rot. Bonds3

About 2-(4-methylphenyl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole

2-(4-methylphenyl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole (PubChem CID 53319171) has the molecular formula C19H26N4S and a molecular weight of 342.51 g/mol. Its IUPAC name is 2-(4-methylphenyl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(4-methylphenyl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole
PubChem CID53319171
Molecular FormulaC19H26N4S
Molecular Weight342.51 g/mol
Exact Mass342.19
IUPAC Name2-(4-methylphenyl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole
SMILESCc1ccc(-c2nnc(N3CCC(N4CCCCC4)CC3)s2)cc1
InChIInChI=1S/C19H26N4S/c1-15-5-7-16(8-6-15)18-20-21-19(24-18)23-13-9-17(10-14-23)22-11-3-2-4-12-22/h5-8,17H,2-4,9-14H2,1H3
InChIKeyRSCFKVDDYPFZTI-UHFFFAOYSA-N
XLogP3.97
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.51
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole?
The IUPAC name of 2-(4-methylphenyl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole (CID 53319171) is 2-(4-methylphenyl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-(4-methylphenyl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole?
The canonical SMILES for 2-(4-methylphenyl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole is Cc1ccc(-c2nnc(N3CCC(N4CCCCC4)CC3)s2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole?
The InChIKey is RSCFKVDDYPFZTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4S/c1-15-5-7-16(8-6-15)18-20-21-19(24-18)23-13-9-17(10-14-23)22-11-3-2-4-12-22/h5-8,17H,2-4,9-14H2,1H3.
What are the key properties of 2-(4-methylphenyl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole?
2-(4-methylphenyl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole has a molecular weight of 342.51 g/mol, XLogP of 3.97, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole is sourced from PubChem (CID 53319171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).