2-[1-[(5-chlorothiadiazol-4-yl)methyl]piperidin-3-yl]ethanol

C10H16ClN3OS — CID 62356472

IUPAC2-[1-[(5-chlorothiadiazol-4-yl)methyl]piperidin-3-yl]ethanol
SMILESOCCC1CCCN(Cc2nnsc2Cl)C1
InChIInChI=1S/C10H16ClN3OS/c11-10-9(12-13-16-10)7-14-4-1-2-8(6-14)3-5-15/h8,15H,1-7H2
InChIKeyFMIAOHAKFFIGBD-UHFFFAOYSA-N
MW261.78 g/mol
LogP1.79
Rot. Bonds4

About 2-[1-[(5-chlorothiadiazol-4-yl)methyl]piperidin-3-yl]ethanol

2-[1-[(5-chlorothiadiazol-4-yl)methyl]piperidin-3-yl]ethanol (PubChem CID 62356472) has the molecular formula C10H16ClN3OS and a molecular weight of 261.78 g/mol. Its IUPAC name is 2-[1-[(5-chlorothiadiazol-4-yl)methyl]piperidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-[(5-chlorothiadiazol-4-yl)methyl]piperidin-3-yl]ethanol
PubChem CID62356472
Molecular FormulaC10H16ClN3OS
Molecular Weight261.78 g/mol
Exact Mass261.07
IUPAC Name2-[1-[(5-chlorothiadiazol-4-yl)methyl]piperidin-3-yl]ethanol
SMILESOCCC1CCCN(Cc2nnsc2Cl)C1
InChIInChI=1S/C10H16ClN3OS/c11-10-9(12-13-16-10)7-14-4-1-2-8(6-14)3-5-15/h8,15H,1-7H2
InChIKeyFMIAOHAKFFIGBD-UHFFFAOYSA-N
XLogP1.79
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.78
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(5-chlorothiadiazol-4-yl)methyl]piperidin-3-yl]ethanol?
The IUPAC name of 2-[1-[(5-chlorothiadiazol-4-yl)methyl]piperidin-3-yl]ethanol (CID 62356472) is 2-[1-[(5-chlorothiadiazol-4-yl)methyl]piperidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-[(5-chlorothiadiazol-4-yl)methyl]piperidin-3-yl]ethanol?
The canonical SMILES for 2-[1-[(5-chlorothiadiazol-4-yl)methyl]piperidin-3-yl]ethanol is OCCC1CCCN(Cc2nnsc2Cl)C1.
What is the InChIKey of 2-[1-[(5-chlorothiadiazol-4-yl)methyl]piperidin-3-yl]ethanol?
The InChIKey is FMIAOHAKFFIGBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3OS/c11-10-9(12-13-16-10)7-14-4-1-2-8(6-14)3-5-15/h8,15H,1-7H2.
What are the key properties of 2-[1-[(5-chlorothiadiazol-4-yl)methyl]piperidin-3-yl]ethanol?
2-[1-[(5-chlorothiadiazol-4-yl)methyl]piperidin-3-yl]ethanol has a molecular weight of 261.78 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(5-chlorothiadiazol-4-yl)methyl]piperidin-3-yl]ethanol is sourced from PubChem (CID 62356472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).