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

C10H15N3O2S — CID 60958310

IUPAC[4-(hydroxymethyl)piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone
SMILESCc1nnsc1C(=O)N1CCC(CO)CC1
InChIInChI=1S/C10H15N3O2S/c1-7-9(16-12-11-7)10(15)13-4-2-8(6-14)3-5-13/h8,14H,2-6H2,1H3
InChIKeyARHMCCCBHDCXRD-UHFFFAOYSA-N
MW241.32 g/mol
LogP0.69
Rot. Bonds2

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

[4-(hydroxymethyl)piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone (PubChem CID 60958310) has the molecular formula C10H15N3O2S and a molecular weight of 241.32 g/mol. Its IUPAC name is [4-(hydroxymethyl)piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone.

Molecular Properties

Compound Name[4-(hydroxymethyl)piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone
PubChem CID60958310
Molecular FormulaC10H15N3O2S
Molecular Weight241.32 g/mol
Exact Mass241.09
IUPAC Name[4-(hydroxymethyl)piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone
SMILESCc1nnsc1C(=O)N1CCC(CO)CC1
InChIInChI=1S/C10H15N3O2S/c1-7-9(16-12-11-7)10(15)13-4-2-8(6-14)3-5-13/h8,14H,2-6H2,1H3
InChIKeyARHMCCCBHDCXRD-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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Frequently Asked Questions

What is the IUPAC name of [4-(hydroxymethyl)piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone?
The IUPAC name of [4-(hydroxymethyl)piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone (CID 60958310) is [4-(hydroxymethyl)piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone.
What is the SMILES notation for [4-(hydroxymethyl)piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone?
The canonical SMILES for [4-(hydroxymethyl)piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone is Cc1nnsc1C(=O)N1CCC(CO)CC1.
What is the InChIKey of [4-(hydroxymethyl)piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone?
The InChIKey is ARHMCCCBHDCXRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2S/c1-7-9(16-12-11-7)10(15)13-4-2-8(6-14)3-5-13/h8,14H,2-6H2,1H3.
What are the key properties of [4-(hydroxymethyl)piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone?
[4-(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 [4-(hydroxymethyl)piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone is sourced from PubChem (CID 60958310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).