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

C10H15N3O2S — CID 43403557

IUPAC[3-(hydroxymethyl)piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone
SMILESCc1nnsc1C(=O)N1CCCC(CO)C1
InChIInChI=1S/C10H15N3O2S/c1-7-9(16-12-11-7)10(15)13-4-2-3-8(5-13)6-14/h8,14H,2-6H2,1H3
InChIKeyFUOYAMFOIZZNJI-UHFFFAOYSA-N
MW241.32 g/mol
LogP0.69
Rot. Bonds2

About [3-(hydroxymethyl)piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone

[3-(hydroxymethyl)piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone (PubChem CID 43403557) has the molecular formula C10H15N3O2S and a molecular weight of 241.32 g/mol. Its IUPAC name is [3-(hydroxymethyl)piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone.

Molecular Properties

Compound Name[3-(hydroxymethyl)piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone
PubChem CID43403557
Molecular FormulaC10H15N3O2S
Molecular Weight241.32 g/mol
Exact Mass241.09
IUPAC Name[3-(hydroxymethyl)piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone
SMILESCc1nnsc1C(=O)N1CCCC(CO)C1
InChIInChI=1S/C10H15N3O2S/c1-7-9(16-12-11-7)10(15)13-4-2-3-8(5-13)6-14/h8,14H,2-6H2,1H3
InChIKeyFUOYAMFOIZZNJI-UHFFFAOYSA-N
XLogP0.69
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(hydroxymethyl)pyrrolidin-1-yl]-(4-methylthiadiazol-5-yl)methanone
CID 62347907
[4-(hydroxymethyl)piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone
CID 60958310
2-[[1-(4-methylthiadiazole-5-carbonyl)piperidin-3-yl]methylamino]acetic acid
CID 106813618
(3-chloropiperidin-1-yl)-(4-methylthiadiazol-5-yl)methanone
CID 65198933
(4-methylthiadiazol-5-yl)-[(3R)-3-(2-phenylethyl)piperidin-1-yl]methanone
CID 25380199
[3-(aminomethyl)pyrrolidin-1-yl]-(4-methylthiadiazol-5-yl)methanone
CID 62067468
[3-[(4-methylphenoxy)methyl]piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone
CID 70722943
[3-(hydroxymethyl)piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 43589511
[(3R)-3-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone
CID 25310805
(3-aminoazetidin-1-yl)-(4-methylthiadiazol-5-yl)methanone
CID 65244992
[(3R)-3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone
CID 42310649
1-(4-methylthiadiazole-5-carbonyl)piperidine-3,4-dicarboxylic acid
CID 115918213

Frequently Asked Questions

What is the IUPAC name of [3-(hydroxymethyl)piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone?
The IUPAC name of [3-(hydroxymethyl)piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone (CID 43403557) is [3-(hydroxymethyl)piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone.
What is the SMILES notation for [3-(hydroxymethyl)piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone?
The canonical SMILES for [3-(hydroxymethyl)piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone is Cc1nnsc1C(=O)N1CCCC(CO)C1.
What is the InChIKey of [3-(hydroxymethyl)piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone?
The InChIKey is FUOYAMFOIZZNJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2S/c1-7-9(16-12-11-7)10(15)13-4-2-3-8(5-13)6-14/h8,14H,2-6H2,1H3.
What are the key properties of [3-(hydroxymethyl)piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone?
[3-(hydroxymethyl)piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone has a molecular weight of 241.32 g/mol, XLogP of 0.69, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(hydroxymethyl)piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone is sourced from PubChem (CID 43403557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).