3-[5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]phenol

C18H24N4OS — CID 58430756

IUPAC3-[5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]phenol
SMILESOc1cccc(-c2nnc(N3CCC(N4CCCCC4)CC3)s2)c1
InChIInChI=1S/C18H24N4OS/c23-16-6-4-5-14(13-16)17-19-20-18(24-17)22-11-7-15(8-12-22)21-9-2-1-3-10-21/h4-6,13,15,23H,1-3,7-12H2
InChIKeyLDSYPNABKAEXTL-UHFFFAOYSA-N
MW344.48 g/mol
LogP3.37
Rot. Bonds3

About 3-[5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]phenol

3-[5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]phenol (PubChem CID 58430756) has the molecular formula C18H24N4OS and a molecular weight of 344.48 g/mol. Its IUPAC name is 3-[5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]phenol.

Molecular Properties

Compound Name3-[5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]phenol
PubChem CID58430756
Molecular FormulaC18H24N4OS
Molecular Weight344.48 g/mol
Exact Mass344.17
IUPAC Name3-[5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]phenol
SMILESOc1cccc(-c2nnc(N3CCC(N4CCCCC4)CC3)s2)c1
InChIInChI=1S/C18H24N4OS/c23-16-6-4-5-14(13-16)17-19-20-18(24-17)22-11-7-15(8-12-22)21-9-2-1-3-10-21/h4-6,13,15,23H,1-3,7-12H2
InChIKeyLDSYPNABKAEXTL-UHFFFAOYSA-N
XLogP3.37
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]phenol?
The IUPAC name of 3-[5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]phenol (CID 58430756) is 3-[5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]phenol.
What is the SMILES notation for 3-[5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]phenol?
The canonical SMILES for 3-[5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]phenol is Oc1cccc(-c2nnc(N3CCC(N4CCCCC4)CC3)s2)c1.
What is the InChIKey of 3-[5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]phenol?
The InChIKey is LDSYPNABKAEXTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4OS/c23-16-6-4-5-14(13-16)17-19-20-18(24-17)22-11-7-15(8-12-22)21-9-2-1-3-10-21/h4-6,13,15,23H,1-3,7-12H2.
What are the key properties of 3-[5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]phenol?
3-[5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]phenol has a molecular weight of 344.48 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]phenol is sourced from PubChem (CID 58430756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).