[1-[1-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)piperidin-3-yl]triazol-4-yl]methanol

C15H17N7OS — CID 167822532

IUPAC[1-[1-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)piperidin-3-yl]triazol-4-yl]methanol
SMILESOCc1cn(C2CCCN(c3nnc(-c4ccccn4)s3)C2)nn1
InChIInChI=1S/C15H17N7OS/c23-10-11-8-22(20-17-11)12-4-3-7-21(9-12)15-19-18-14(24-15)13-5-1-2-6-16-13/h1-2,5-6,8,12,23H,3-4,7,9-10H2
InChIKeyNLCGQHRGFSENIM-UHFFFAOYSA-N
MW343.42 g/mol
LogP1.53
Rot. Bonds4

About [1-[1-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)piperidin-3-yl]triazol-4-yl]methanol

[1-[1-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)piperidin-3-yl]triazol-4-yl]methanol (PubChem CID 167822532) has the molecular formula C15H17N7OS and a molecular weight of 343.42 g/mol. Its IUPAC name is [1-[1-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)piperidin-3-yl]triazol-4-yl]methanol.

Molecular Properties

Compound Name[1-[1-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)piperidin-3-yl]triazol-4-yl]methanol
PubChem CID167822532
Molecular FormulaC15H17N7OS
Molecular Weight343.42 g/mol
Exact Mass343.12
IUPAC Name[1-[1-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)piperidin-3-yl]triazol-4-yl]methanol
SMILESOCc1cn(C2CCCN(c3nnc(-c4ccccn4)s3)C2)nn1
InChIInChI=1S/C15H17N7OS/c23-10-11-8-22(20-17-11)12-4-3-7-21(9-12)15-19-18-14(24-15)13-5-1-2-6-16-13/h1-2,5-6,8,12,23H,3-4,7,9-10H2
InChIKeyNLCGQHRGFSENIM-UHFFFAOYSA-N
XLogP1.53
TPSA92.85 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.42
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of [1-[1-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)piperidin-3-yl]triazol-4-yl]methanol?
The IUPAC name of [1-[1-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)piperidin-3-yl]triazol-4-yl]methanol (CID 167822532) is [1-[1-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)piperidin-3-yl]triazol-4-yl]methanol.
What is the SMILES notation for [1-[1-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)piperidin-3-yl]triazol-4-yl]methanol?
The canonical SMILES for [1-[1-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)piperidin-3-yl]triazol-4-yl]methanol is OCc1cn(C2CCCN(c3nnc(-c4ccccn4)s3)C2)nn1.
What is the InChIKey of [1-[1-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)piperidin-3-yl]triazol-4-yl]methanol?
The InChIKey is NLCGQHRGFSENIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N7OS/c23-10-11-8-22(20-17-11)12-4-3-7-21(9-12)15-19-18-14(24-15)13-5-1-2-6-16-13/h1-2,5-6,8,12,23H,3-4,7,9-10H2.
What are the key properties of [1-[1-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)piperidin-3-yl]triazol-4-yl]methanol?
[1-[1-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)piperidin-3-yl]triazol-4-yl]methanol has a molecular weight of 343.42 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[1-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)piperidin-3-yl]triazol-4-yl]methanol is sourced from PubChem (CID 167822532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).