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

C23H33N5S — CID 45377639

IUPAC2-(3-phenylpiperidin-1-yl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole
SMILESc1ccc(C2CCCN(c3nnc(N4CCC(N5CCCCC5)CC4)s3)C2)cc1
InChIInChI=1S/C23H33N5S/c1-3-8-19(9-4-1)20-10-7-15-28(18-20)23-25-24-22(29-23)27-16-11-21(12-17-27)26-13-5-2-6-14-26/h1,3-4,8-9,20-21H,2,5-7,10-18H2
InChIKeyUKXQJJDASUHIPZ-UHFFFAOYSA-N
MW411.62 g/mol
LogP4.38
Rot. Bonds4

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

2-(3-phenylpiperidin-1-yl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole (PubChem CID 45377639) has the molecular formula C23H33N5S and a molecular weight of 411.62 g/mol. Its IUPAC name is 2-(3-phenylpiperidin-1-yl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(3-phenylpiperidin-1-yl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole
PubChem CID45377639
Molecular FormulaC23H33N5S
Molecular Weight411.62 g/mol
Exact Mass411.25
IUPAC Name2-(3-phenylpiperidin-1-yl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole
SMILESc1ccc(C2CCCN(c3nnc(N4CCC(N5CCCCC5)CC4)s3)C2)cc1
InChIInChI=1S/C23H33N5S/c1-3-8-19(9-4-1)20-10-7-15-28(18-20)23-25-24-22(29-23)27-16-11-21(12-17-27)26-13-5-2-6-14-26/h1,3-4,8-9,20-21H,2,5-7,10-18H2
InChIKeyUKXQJJDASUHIPZ-UHFFFAOYSA-N
XLogP4.38
TPSA35.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.62
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidin-3-ol
CID 62707527
2-(4-cyclopentylpiperazin-1-yl)-5-(3-pyridin-4-ylpyrrolidin-1-yl)-1,3,4-thiadiazole
CID 45377494
2-[(3S)-1-(5-bromopyrimidin-2-yl)piperidin-3-yl]-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole
CID 58430491
2-[3-(azepan-1-yl)piperidin-1-yl]-5-tert-butyl-1,3,4-thiadiazole
CID 133454456
benzyl (3S)-3-[5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-1-carboxylate
CID 58430663
1-(3-phenylcyclohexyl)piperidine
CID 163210314
2-(4-methylphenyl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole
CID 53319171
2,2-diphenyl-N-[5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]acetamide
CID 58430538
4-methyl-2-(4-piperidin-1-ylazepan-1-yl)quinazoline
CID 142905223
1-[5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]-3-pyrimidin-2-ylpiperidin-3-ol
CID 62705251
3-[5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]phenol
CID 58430756
2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-5-bromo-1,3,4-thiadiazole
CID 64623500

Frequently Asked Questions

What is the IUPAC name of 2-(3-phenylpiperidin-1-yl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole?
The IUPAC name of 2-(3-phenylpiperidin-1-yl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole (CID 45377639) is 2-(3-phenylpiperidin-1-yl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-(3-phenylpiperidin-1-yl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole?
The canonical SMILES for 2-(3-phenylpiperidin-1-yl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole is c1ccc(C2CCCN(c3nnc(N4CCC(N5CCCCC5)CC4)s3)C2)cc1.
What is the InChIKey of 2-(3-phenylpiperidin-1-yl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole?
The InChIKey is UKXQJJDASUHIPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N5S/c1-3-8-19(9-4-1)20-10-7-15-28(18-20)23-25-24-22(29-23)27-16-11-21(12-17-27)26-13-5-2-6-14-26/h1,3-4,8-9,20-21H,2,5-7,10-18H2.
What are the key properties of 2-(3-phenylpiperidin-1-yl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole?
2-(3-phenylpiperidin-1-yl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole has a molecular weight of 411.62 g/mol, XLogP of 4.38, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-phenylpiperidin-1-yl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole is sourced from PubChem (CID 45377639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).