(4-hydroxy-3-methylpiperidin-1-yl)-(4-methylthiadiazol-5-yl)methanone

C10H15N3O2S — CID 114680256

IUPAC(4-hydroxy-3-methylpiperidin-1-yl)-(4-methylthiadiazol-5-yl)methanone
SMILESCc1nnsc1C(=O)N1CCC(O)C(C)C1
InChIInChI=1S/C10H15N3O2S/c1-6-5-13(4-3-8(6)14)10(15)9-7(2)11-12-16-9/h6,8,14H,3-5H2,1-2H3
InChIKeyOYXUPBLAAODQJY-UHFFFAOYSA-N
MW241.32 g/mol
LogP0.69
Rot. Bonds1

About (4-hydroxy-3-methylpiperidin-1-yl)-(4-methylthiadiazol-5-yl)methanone

(4-hydroxy-3-methylpiperidin-1-yl)-(4-methylthiadiazol-5-yl)methanone (PubChem CID 114680256) has the molecular formula C10H15N3O2S and a molecular weight of 241.32 g/mol. Its IUPAC name is (4-hydroxy-3-methylpiperidin-1-yl)-(4-methylthiadiazol-5-yl)methanone.

Molecular Properties

Compound Name(4-hydroxy-3-methylpiperidin-1-yl)-(4-methylthiadiazol-5-yl)methanone
PubChem CID114680256
Molecular FormulaC10H15N3O2S
Molecular Weight241.32 g/mol
Exact Mass241.09
IUPAC Name(4-hydroxy-3-methylpiperidin-1-yl)-(4-methylthiadiazol-5-yl)methanone
SMILESCc1nnsc1C(=O)N1CCC(O)C(C)C1
InChIInChI=1S/C10H15N3O2S/c1-6-5-13(4-3-8(6)14)10(15)9-7(2)11-12-16-9/h6,8,14H,3-5H2,1-2H3
InChIKeyOYXUPBLAAODQJY-UHFFFAOYSA-N
XLogP0.69
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
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

1-(4-methylthiadiazole-5-carbonyl)piperidine-3,4-dicarboxylic acid
CID 115918213
[3-(aminomethyl)pyrrolidin-1-yl]-(4-methylthiadiazol-5-yl)methanone
CID 62067468
(4-bromopiperidin-1-yl)-(4-methylthiadiazol-5-yl)methanone
CID 80661773
[4-(aminomethyl)piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone;hydrochloride
CID 127266388
[3-(hydroxymethyl)pyrrolidin-1-yl]-(4-methylthiadiazol-5-yl)methanone
CID 62347907
(2-amino-4-methyl-1,3-thiazol-5-yl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone
CID 114678315
[(3S)-3-methylsulfonylpyrrolidin-1-yl]-(4-methylthiadiazol-5-yl)methanone
CID 97414875
[(3R)-3-methylpiperazin-1-yl]-(4-methylthiadiazol-5-yl)methanone
CID 81428397
[4-(hydroxymethyl)piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone
CID 60958310
(3-methylpiperazin-1-yl)-(4-methylthiadiazol-5-yl)methanone
CID 65447853
(3-chloropiperidin-1-yl)-(4-methylthiadiazol-5-yl)methanone
CID 65198933
[4-(bromomethyl)piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone
CID 80678677

Frequently Asked Questions

What is the IUPAC name of (4-hydroxy-3-methylpiperidin-1-yl)-(4-methylthiadiazol-5-yl)methanone?
The IUPAC name of (4-hydroxy-3-methylpiperidin-1-yl)-(4-methylthiadiazol-5-yl)methanone (CID 114680256) is (4-hydroxy-3-methylpiperidin-1-yl)-(4-methylthiadiazol-5-yl)methanone.
What is the SMILES notation for (4-hydroxy-3-methylpiperidin-1-yl)-(4-methylthiadiazol-5-yl)methanone?
The canonical SMILES for (4-hydroxy-3-methylpiperidin-1-yl)-(4-methylthiadiazol-5-yl)methanone is Cc1nnsc1C(=O)N1CCC(O)C(C)C1.
What is the InChIKey of (4-hydroxy-3-methylpiperidin-1-yl)-(4-methylthiadiazol-5-yl)methanone?
The InChIKey is OYXUPBLAAODQJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2S/c1-6-5-13(4-3-8(6)14)10(15)9-7(2)11-12-16-9/h6,8,14H,3-5H2,1-2H3.
What are the key properties of (4-hydroxy-3-methylpiperidin-1-yl)-(4-methylthiadiazol-5-yl)methanone?
(4-hydroxy-3-methylpiperidin-1-yl)-(4-methylthiadiazol-5-yl)methanone has a molecular weight of 241.32 g/mol, XLogP of 0.69, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxy-3-methylpiperidin-1-yl)-(4-methylthiadiazol-5-yl)methanone is sourced from PubChem (CID 114680256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).