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

C18H24N4S — CID 53321787

IUPAC2-phenyl-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole
SMILESc1ccc(-c2nnc(N3CCC(N4CCCCC4)CC3)s2)cc1
InChIInChI=1S/C18H24N4S/c1-3-7-15(8-4-1)17-19-20-18(23-17)22-13-9-16(10-14-22)21-11-5-2-6-12-21/h1,3-4,7-8,16H,2,5-6,9-14H2
InChIKeyOBLUTTUWFIBPHB-UHFFFAOYSA-N
MW328.48 g/mol
LogP3.66
Rot. Bonds3

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

2-phenyl-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole (PubChem CID 53321787) has the molecular formula C18H24N4S and a molecular weight of 328.48 g/mol. Its IUPAC name is 2-phenyl-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-phenyl-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole
PubChem CID53321787
Molecular FormulaC18H24N4S
Molecular Weight328.48 g/mol
Exact Mass328.17
IUPAC Name2-phenyl-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole
SMILESc1ccc(-c2nnc(N3CCC(N4CCCCC4)CC3)s2)cc1
InChIInChI=1S/C18H24N4S/c1-3-7-15(8-4-1)17-19-20-18(23-17)22-13-9-16(10-14-22)21-11-5-2-6-12-21/h1,3-4,7-8,16H,2,5-6,9-14H2
InChIKeyOBLUTTUWFIBPHB-UHFFFAOYSA-N
XLogP3.66
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.48
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(5-(1,4''-Bipiperidin-1''-yl)-1,3,4-thiadiazol-2-yl)benzonitrile
CID 53320488
2-(1,4''-Bipiperidin-1''-yl)-5-o-tolyl-1,3,4-thiadiazole
CID 53320491
2-(1,4''-Bipiperidin-1''-yl)-5-(2-fluorophenyl)-1,3,4-thiadiazole
CID 53321789
2-(1,4''-Bipiperidin-1''-yl)-5-(4-fluorophenyl)-1,3,4-thiadiazole
CID 53321790
2-(1,4''-Bipiperidin-1''-yl)-5-(3-fluorophenyl)-1,3,4-thiadiazole
CID 53325775
4-(5-(1,4''-Bipiperidin-1''-yl)-1,3,4-thiadiazol-2-yl)benzonitrile
CID 53325779
2-(1,4''-Bipiperidin-1''-yl)-5-(2-chlorophenyl)-1,3,4-thiadiazole
CID 53326914
Piperazine, 1-methyl-4-(5-phenyl-1,3,4-thiadiazol-2-yl)-
CID 1500024
3-[(2-Cyanoethyl)(5-phenyl-1,3,4-thiadiazol-2-yl)amino]propanenitrile
CID 661530
2-(3-Methylphenyl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole
CID 53317857
2-(4-Methylphenyl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole
CID 53319171
5-[5-(4-Piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]benzene-1,3-dicarbonitrile
CID 53321788

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole?
The IUPAC name of 2-phenyl-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole (CID 53321787) is 2-phenyl-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-phenyl-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole?
The canonical SMILES for 2-phenyl-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole is c1ccc(-c2nnc(N3CCC(N4CCCCC4)CC3)s2)cc1.
What is the InChIKey of 2-phenyl-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole?
The InChIKey is OBLUTTUWFIBPHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4S/c1-3-7-15(8-4-1)17-19-20-18(23-17)22-13-9-16(10-14-22)21-11-5-2-6-12-21/h1,3-4,7-8,16H,2,5-6,9-14H2.
What are the key properties of 2-phenyl-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole?
2-phenyl-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole has a molecular weight of 328.48 g/mol, XLogP of 3.66, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole is sourced from PubChem (CID 53321787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).