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

C9H15N3OS — CID 65273153

IUPAC[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]methanol
SMILESCc1nsc(N2CCCCC2CO)n1
InChIInChI=1S/C9H15N3OS/c1-7-10-9(14-11-7)12-5-3-2-4-8(12)6-13/h8,13H,2-6H2,1H3
InChIKeyWJKLCNUKJBKBBW-UHFFFAOYSA-N
MW213.31 g/mol
LogP1.20
Rot. Bonds2

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

[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]methanol (PubChem CID 65273153) has the molecular formula C9H15N3OS and a molecular weight of 213.31 g/mol. Its IUPAC name is [1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]methanol.

Molecular Properties

Compound Name[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]methanol
PubChem CID65273153
Molecular FormulaC9H15N3OS
Molecular Weight213.31 g/mol
Exact Mass213.09
IUPAC Name[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]methanol
SMILESCc1nsc(N2CCCCC2CO)n1
InChIInChI=1S/C9H15N3OS/c1-7-10-9(14-11-7)12-5-3-2-4-8(12)6-13/h8,13H,2-6H2,1H3
InChIKeyWJKLCNUKJBKBBW-UHFFFAOYSA-N
XLogP1.20
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.31
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]methanol?
The IUPAC name of [1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]methanol (CID 65273153) is [1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]methanol.
What is the SMILES notation for [1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]methanol?
The canonical SMILES for [1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]methanol is Cc1nsc(N2CCCCC2CO)n1.
What is the InChIKey of [1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]methanol?
The InChIKey is WJKLCNUKJBKBBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3OS/c1-7-10-9(14-11-7)12-5-3-2-4-8(12)6-13/h8,13H,2-6H2,1H3.
What are the key properties of [1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]methanol?
[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]methanol has a molecular weight of 213.31 g/mol, XLogP of 1.20, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]methanol is sourced from PubChem (CID 65273153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).