2-(6-methoxy-2-pyridinyl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole

C18H25N5OS — CID 50905026

IUPAC2-(6-methoxy-2-pyridinyl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole
SMILESCOc1cccc(-c2nnc(N3CCC(N4CCCCC4)CC3)s2)n1
InChIInChI=1S/C18H25N5OS/c1-24-16-7-5-6-15(19-16)17-20-21-18(25-17)23-12-8-14(9-13-23)22-10-3-2-4-11-22/h5-7,14H,2-4,8-13H2,1H3
InChIKeyMXQPVUOHIDIHQP-UHFFFAOYSA-N
MW359.50 g/mol
LogP3.06
Rot. Bonds4

About 2-(6-methoxy-2-pyridinyl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole

2-(6-methoxy-2-pyridinyl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole (PubChem CID 50905026) has the molecular formula C18H25N5OS and a molecular weight of 359.50 g/mol. Its IUPAC name is 2-(6-methoxy-2-pyridinyl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(6-methoxy-2-pyridinyl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole
PubChem CID50905026
Molecular FormulaC18H25N5OS
Molecular Weight359.50 g/mol
Exact Mass359.18
IUPAC Name2-(6-methoxy-2-pyridinyl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole
SMILESCOc1cccc(-c2nnc(N3CCC(N4CCCCC4)CC3)s2)n1
InChIInChI=1S/C18H25N5OS/c1-24-16-7-5-6-15(19-16)17-20-21-18(25-17)23-12-8-14(9-13-23)22-10-3-2-4-11-22/h5-7,14H,2-4,8-13H2,1H3
InChIKeyMXQPVUOHIDIHQP-UHFFFAOYSA-N
XLogP3.06
TPSA54.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.50
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(6-methoxy-2-pyridinyl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole?
The IUPAC name of 2-(6-methoxy-2-pyridinyl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole (CID 50905026) is 2-(6-methoxy-2-pyridinyl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-(6-methoxy-2-pyridinyl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole?
The canonical SMILES for 2-(6-methoxy-2-pyridinyl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole is COc1cccc(-c2nnc(N3CCC(N4CCCCC4)CC3)s2)n1.
What is the InChIKey of 2-(6-methoxy-2-pyridinyl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole?
The InChIKey is MXQPVUOHIDIHQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5OS/c1-24-16-7-5-6-15(19-16)17-20-21-18(25-17)23-12-8-14(9-13-23)22-10-3-2-4-11-22/h5-7,14H,2-4,8-13H2,1H3.
What are the key properties of 2-(6-methoxy-2-pyridinyl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole?
2-(6-methoxy-2-pyridinyl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole has a molecular weight of 359.50 g/mol, XLogP of 3.06, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methoxy-2-pyridinyl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole is sourced from PubChem (CID 50905026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).