[4-(hydroxymethyl)piperidin-1-yl]-(thiadiazol-5-yl)methanone

C9H13N3O2S — CID 60958313

IUPAC[4-(hydroxymethyl)piperidin-1-yl]-(thiadiazol-5-yl)methanone
SMILESO=C(c1cnns1)N1CCC(CO)CC1
InChIInChI=1S/C9H13N3O2S/c13-6-7-1-3-12(4-2-7)9(14)8-5-10-11-15-8/h5,7,13H,1-4,6H2
InChIKeyBXXJZFYNOCXSOJ-UHFFFAOYSA-N
MW227.29 g/mol
LogP0.38
Rot. Bonds2

About [4-(hydroxymethyl)piperidin-1-yl]-(thiadiazol-5-yl)methanone

[4-(hydroxymethyl)piperidin-1-yl]-(thiadiazol-5-yl)methanone (PubChem CID 60958313) has the molecular formula C9H13N3O2S and a molecular weight of 227.29 g/mol. Its IUPAC name is [4-(hydroxymethyl)piperidin-1-yl]-(thiadiazol-5-yl)methanone.

Molecular Properties

Compound Name[4-(hydroxymethyl)piperidin-1-yl]-(thiadiazol-5-yl)methanone
PubChem CID60958313
Molecular FormulaC9H13N3O2S
Molecular Weight227.29 g/mol
Exact Mass227.07
IUPAC Name[4-(hydroxymethyl)piperidin-1-yl]-(thiadiazol-5-yl)methanone
SMILESO=C(c1cnns1)N1CCC(CO)CC1
InChIInChI=1S/C9H13N3O2S/c13-6-7-1-3-12(4-2-7)9(14)8-5-10-11-15-8/h5,7,13H,1-4,6H2
InChIKeyBXXJZFYNOCXSOJ-UHFFFAOYSA-N
XLogP0.38
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 ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 1-(thiadiazole-5-carbonyl)piperidine-4-carboxylate
CID 43623389
(4-piperidin-1-ylsulfonylpiperidin-1-yl)-(thiadiazol-5-yl)methanone
CID 139019899
(4-chloro-3-methylpiperidin-1-yl)-(thiadiazol-5-yl)methanone
CID 114683044
[4-(2-chloroethyl)piperazin-1-yl]-(thiadiazol-5-yl)methanone
CID 65215381
3-[4-(thiadiazole-5-carbonyl)piperazin-1-yl]propanoic acid
CID 43522672
[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-(thiadiazol-5-yl)methanone
CID 63657795
[4-(hydroxymethyl)piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone
CID 60958310
4-methyl-1-(thiadiazole-5-carbonyl)piperidine-4-carboxylic acid
CID 55176600
[4-(3,4-dimethylphenoxy)piperidin-1-yl]-(thiadiazol-5-yl)methanone
CID 56817214
[2-(aminomethyl)-4-ethylpiperidin-1-yl]-(thiadiazol-5-yl)methanone
CID 103352437
2-[4-(thiadiazole-5-carbonyl)piperazin-1-yl]propanoic acid
CID 62315838
[4-(hydroxymethyl)piperidin-1-yl]-(1H-pyrazol-4-yl)methanone
CID 43582926

Frequently Asked Questions

What is the IUPAC name of [4-(hydroxymethyl)piperidin-1-yl]-(thiadiazol-5-yl)methanone?
The IUPAC name of [4-(hydroxymethyl)piperidin-1-yl]-(thiadiazol-5-yl)methanone (CID 60958313) is [4-(hydroxymethyl)piperidin-1-yl]-(thiadiazol-5-yl)methanone.
What is the SMILES notation for [4-(hydroxymethyl)piperidin-1-yl]-(thiadiazol-5-yl)methanone?
The canonical SMILES for [4-(hydroxymethyl)piperidin-1-yl]-(thiadiazol-5-yl)methanone is O=C(c1cnns1)N1CCC(CO)CC1.
What is the InChIKey of [4-(hydroxymethyl)piperidin-1-yl]-(thiadiazol-5-yl)methanone?
The InChIKey is BXXJZFYNOCXSOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2S/c13-6-7-1-3-12(4-2-7)9(14)8-5-10-11-15-8/h5,7,13H,1-4,6H2.
What are the key properties of [4-(hydroxymethyl)piperidin-1-yl]-(thiadiazol-5-yl)methanone?
[4-(hydroxymethyl)piperidin-1-yl]-(thiadiazol-5-yl)methanone has a molecular weight of 227.29 g/mol, XLogP of 0.38, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(hydroxymethyl)piperidin-1-yl]-(thiadiazol-5-yl)methanone is sourced from PubChem (CID 60958313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).