[4-(2-hydroxyethoxy)piperidin-1-yl]-(1,2,5-thiadiazol-3-yl)methanone

C10H15N3O3S — CID 82691427

IUPAC[4-(2-hydroxyethoxy)piperidin-1-yl]-(1,2,5-thiadiazol-3-yl)methanone
SMILESO=C(c1cnsn1)N1CCC(OCCO)CC1
InChIInChI=1S/C10H15N3O3S/c14-5-6-16-8-1-3-13(4-2-8)10(15)9-7-11-17-12-9/h7-8,14H,1-6H2
InChIKeyQSFQDXGLZCUWDB-UHFFFAOYSA-N
MW257.31 g/mol
LogP0.15
Rot. Bonds4

About [4-(2-hydroxyethoxy)piperidin-1-yl]-(1,2,5-thiadiazol-3-yl)methanone

[4-(2-hydroxyethoxy)piperidin-1-yl]-(1,2,5-thiadiazol-3-yl)methanone (PubChem CID 82691427) has the molecular formula C10H15N3O3S and a molecular weight of 257.31 g/mol. Its IUPAC name is [4-(2-hydroxyethoxy)piperidin-1-yl]-(1,2,5-thiadiazol-3-yl)methanone.

Molecular Properties

Compound Name[4-(2-hydroxyethoxy)piperidin-1-yl]-(1,2,5-thiadiazol-3-yl)methanone
PubChem CID82691427
Molecular FormulaC10H15N3O3S
Molecular Weight257.31 g/mol
Exact Mass257.08
IUPAC Name[4-(2-hydroxyethoxy)piperidin-1-yl]-(1,2,5-thiadiazol-3-yl)methanone
SMILESO=C(c1cnsn1)N1CCC(OCCO)CC1
InChIInChI=1S/C10H15N3O3S/c14-5-6-16-8-1-3-13(4-2-8)10(15)9-7-11-17-12-9/h7-8,14H,1-6H2
InChIKeyQSFQDXGLZCUWDB-UHFFFAOYSA-N
XLogP0.15
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(2-hydroxyethoxy)piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 103899127
[4-(2-hydroxyethoxy)piperidin-1-yl]-(5-hydroxy-3-pyridinyl)methanone
CID 82691397
(6-hydrazinylpyridazin-3-yl)-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone
CID 82691902
[1-(2-aminoethyl)imidazol-4-yl]-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone
CID 107499533
[4-(2-hydroxyethoxy)piperidin-1-yl]-(1H-indazol-6-yl)methanone
CID 82015840
1-(1,2,5-thiadiazole-3-carbonyl)-1,4-diazepan-5-one
CID 62046931
[2-(aminomethyl)-4-pyridinyl]-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone
CID 82696757
[4-(2-hydroxyethoxy)piperidin-1-yl]-(3-sulfanylphenyl)methanone
CID 107033605
2-amino-1-[4-(2-hydroxyethoxy)piperidin-1-yl]-2-phenylpropan-1-one
CID 82015374
(2-bromo-6-fluorophenyl)-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone
CID 115772825
(3-bromo-5-chlorophenyl)-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone
CID 103899120
(2-amino-5-hydroxyphenyl)-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone
CID 107075819

Frequently Asked Questions

What is the IUPAC name of [4-(2-hydroxyethoxy)piperidin-1-yl]-(1,2,5-thiadiazol-3-yl)methanone?
The IUPAC name of [4-(2-hydroxyethoxy)piperidin-1-yl]-(1,2,5-thiadiazol-3-yl)methanone (CID 82691427) is [4-(2-hydroxyethoxy)piperidin-1-yl]-(1,2,5-thiadiazol-3-yl)methanone.
What is the SMILES notation for [4-(2-hydroxyethoxy)piperidin-1-yl]-(1,2,5-thiadiazol-3-yl)methanone?
The canonical SMILES for [4-(2-hydroxyethoxy)piperidin-1-yl]-(1,2,5-thiadiazol-3-yl)methanone is O=C(c1cnsn1)N1CCC(OCCO)CC1.
What is the InChIKey of [4-(2-hydroxyethoxy)piperidin-1-yl]-(1,2,5-thiadiazol-3-yl)methanone?
The InChIKey is QSFQDXGLZCUWDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3S/c14-5-6-16-8-1-3-13(4-2-8)10(15)9-7-11-17-12-9/h7-8,14H,1-6H2.
What are the key properties of [4-(2-hydroxyethoxy)piperidin-1-yl]-(1,2,5-thiadiazol-3-yl)methanone?
[4-(2-hydroxyethoxy)piperidin-1-yl]-(1,2,5-thiadiazol-3-yl)methanone has a molecular weight of 257.31 g/mol, XLogP of 0.15, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-hydroxyethoxy)piperidin-1-yl]-(1,2,5-thiadiazol-3-yl)methanone is sourced from PubChem (CID 82691427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).