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

C9H13N3O2S — CID 43572891

IUPAC[2-(hydroxymethyl)piperidin-1-yl]-(1,2,5-thiadiazol-3-yl)methanone
SMILESO=C(c1cnsn1)N1CCCCC1CO
InChIInChI=1S/C9H13N3O2S/c13-6-7-3-1-2-4-12(7)9(14)8-5-10-15-11-8/h5,7,13H,1-4,6H2
InChIKeyPPXKNXBIMDMNNB-UHFFFAOYSA-N
MW227.29 g/mol
LogP0.53
Rot. Bonds2

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

[2-(hydroxymethyl)piperidin-1-yl]-(1,2,5-thiadiazol-3-yl)methanone (PubChem CID 43572891) has the molecular formula C9H13N3O2S and a molecular weight of 227.29 g/mol. Its IUPAC name is [2-(hydroxymethyl)piperidin-1-yl]-(1,2,5-thiadiazol-3-yl)methanone.

Molecular Properties

Compound Name[2-(hydroxymethyl)piperidin-1-yl]-(1,2,5-thiadiazol-3-yl)methanone
PubChem CID43572891
Molecular FormulaC9H13N3O2S
Molecular Weight227.29 g/mol
Exact Mass227.07
IUPAC Name[2-(hydroxymethyl)piperidin-1-yl]-(1,2,5-thiadiazol-3-yl)methanone
SMILESO=C(c1cnsn1)N1CCCCC1CO
InChIInChI=1S/C9H13N3O2S/c13-6-7-3-1-2-4-12(7)9(14)8-5-10-15-11-8/h5,7,13H,1-4,6H2
InChIKeyPPXKNXBIMDMNNB-UHFFFAOYSA-N
XLogP0.53
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.29
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-(hydroxymethyl)piperidin-1-yl]-(1,2,5-thiadiazol-3-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5-aminopyrazin-2-yl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
CID 107375180
(5-amino-2-pyridinyl)-[2-(hydroxymethyl)azepan-1-yl]methanone
CID 116633795
[2-(hydroxymethyl)pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 63024249
[2-(hydroxymethyl)azepan-1-yl]-pyridin-4-ylmethanone
CID 116636376
(5-bromo-2-pyridinyl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 79028277
[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-pyrimidin-5-ylmethanone
CID 104629891
[2-(hydroxymethyl)piperidin-1-yl]-[5-(propylamino)-2-pyridinyl]methanone
CID 104640890
(5-bromothiophen-2-yl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
CID 43421504
(2-chloro-6-methylpyrimidin-4-yl)-[2-(hydroxymethyl)azepan-1-yl]methanone
CID 114219653
(5-amino-2-methyl-3-pyridinyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
CID 61039382
(4-chloro-3-pyridinyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
CID 81225917
cyclopentyl-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 79030199

Frequently Asked Questions

What is the IUPAC name of [2-(hydroxymethyl)piperidin-1-yl]-(1,2,5-thiadiazol-3-yl)methanone?
The IUPAC name of [2-(hydroxymethyl)piperidin-1-yl]-(1,2,5-thiadiazol-3-yl)methanone (CID 43572891) is [2-(hydroxymethyl)piperidin-1-yl]-(1,2,5-thiadiazol-3-yl)methanone.
What is the SMILES notation for [2-(hydroxymethyl)piperidin-1-yl]-(1,2,5-thiadiazol-3-yl)methanone?
The canonical SMILES for [2-(hydroxymethyl)piperidin-1-yl]-(1,2,5-thiadiazol-3-yl)methanone is O=C(c1cnsn1)N1CCCCC1CO.
What is the InChIKey of [2-(hydroxymethyl)piperidin-1-yl]-(1,2,5-thiadiazol-3-yl)methanone?
The InChIKey is PPXKNXBIMDMNNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2S/c13-6-7-3-1-2-4-12(7)9(14)8-5-10-15-11-8/h5,7,13H,1-4,6H2.
What are the key properties of [2-(hydroxymethyl)piperidin-1-yl]-(1,2,5-thiadiazol-3-yl)methanone?
[2-(hydroxymethyl)piperidin-1-yl]-(1,2,5-thiadiazol-3-yl)methanone has a molecular weight of 227.29 g/mol, XLogP of 0.53, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(hydroxymethyl)piperidin-1-yl]-(1,2,5-thiadiazol-3-yl)methanone is sourced from PubChem (CID 43572891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).