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

C10H18N4OS — CID 106837633

IUPAC1-[1-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]piperidin-4-yl]ethanol
SMILESCC(O)C1CCN(Cc2nnc(N)s2)CC1
InChIInChI=1S/C10H18N4OS/c1-7(15)8-2-4-14(5-3-8)6-9-12-13-10(11)16-9/h7-8,15H,2-6H2,1H3,(H2,11,13)
InChIKeyQZBSTKXNIZNIFL-UHFFFAOYSA-N
MW242.35 g/mol
LogP0.71
Rot. Bonds3

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

1-[1-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]piperidin-4-yl]ethanol (PubChem CID 106837633) has the molecular formula C10H18N4OS and a molecular weight of 242.35 g/mol. Its IUPAC name is 1-[1-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]piperidin-4-yl]ethanol.

Molecular Properties

Compound Name1-[1-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]piperidin-4-yl]ethanol
PubChem CID106837633
Molecular FormulaC10H18N4OS
Molecular Weight242.35 g/mol
Exact Mass242.12
IUPAC Name1-[1-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]piperidin-4-yl]ethanol
SMILESCC(O)C1CCN(Cc2nnc(N)s2)CC1
InChIInChI=1S/C10H18N4OS/c1-7(15)8-2-4-14(5-3-8)6-9-12-13-10(11)16-9/h7-8,15H,2-6H2,1H3,(H2,11,13)
InChIKeyQZBSTKXNIZNIFL-UHFFFAOYSA-N
XLogP0.71
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.35
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]piperidin-4-yl]ethanol?
The IUPAC name of 1-[1-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]piperidin-4-yl]ethanol (CID 106837633) is 1-[1-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]piperidin-4-yl]ethanol.
What is the SMILES notation for 1-[1-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]piperidin-4-yl]ethanol?
The canonical SMILES for 1-[1-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]piperidin-4-yl]ethanol is CC(O)C1CCN(Cc2nnc(N)s2)CC1.
What is the InChIKey of 1-[1-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]piperidin-4-yl]ethanol?
The InChIKey is QZBSTKXNIZNIFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4OS/c1-7(15)8-2-4-14(5-3-8)6-9-12-13-10(11)16-9/h7-8,15H,2-6H2,1H3,(H2,11,13).
What are the key properties of 1-[1-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]piperidin-4-yl]ethanol?
1-[1-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]piperidin-4-yl]ethanol has a molecular weight of 242.35 g/mol, XLogP of 0.71, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]piperidin-4-yl]ethanol is sourced from PubChem (CID 106837633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).