[4-(1,2-dihydroxyethyl)piperidin-1-yl]-(4-methyl-1,2,5-thiadiazol-3-yl)methanone

C11H17N3O3S — CID 137338018

IUPAC[4-(1,2-dihydroxyethyl)piperidin-1-yl]-(4-methyl-1,2,5-thiadiazol-3-yl)methanone
SMILESCc1nsnc1C(=O)N1CCC(C(O)CO)CC1
InChIInChI=1S/C11H17N3O3S/c1-7-10(13-18-12-7)11(17)14-4-2-8(3-5-14)9(16)6-15/h8-9,15-16H,2-6H2,1H3
InChIKeyUMDLGQIBUPAXJG-UHFFFAOYSA-N
MW271.34 g/mol
LogP0.05
Rot. Bonds3

About [4-(1,2-dihydroxyethyl)piperidin-1-yl]-(4-methyl-1,2,5-thiadiazol-3-yl)methanone

[4-(1,2-dihydroxyethyl)piperidin-1-yl]-(4-methyl-1,2,5-thiadiazol-3-yl)methanone (PubChem CID 137338018) has the molecular formula C11H17N3O3S and a molecular weight of 271.34 g/mol. Its IUPAC name is [4-(1,2-dihydroxyethyl)piperidin-1-yl]-(4-methyl-1,2,5-thiadiazol-3-yl)methanone.

Molecular Properties

Compound Name[4-(1,2-dihydroxyethyl)piperidin-1-yl]-(4-methyl-1,2,5-thiadiazol-3-yl)methanone
PubChem CID137338018
Molecular FormulaC11H17N3O3S
Molecular Weight271.34 g/mol
Exact Mass271.10
IUPAC Name[4-(1,2-dihydroxyethyl)piperidin-1-yl]-(4-methyl-1,2,5-thiadiazol-3-yl)methanone
SMILESCc1nsnc1C(=O)N1CCC(C(O)CO)CC1
InChIInChI=1S/C11H17N3O3S/c1-7-10(13-18-12-7)11(17)14-4-2-8(3-5-14)9(16)6-15/h8-9,15-16H,2-6H2,1H3
InChIKeyUMDLGQIBUPAXJG-UHFFFAOYSA-N
XLogP0.05
TPSA86.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [4-(1,2-dihydroxyethyl)piperidin-1-yl]-(4-methyl-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

Frequently Asked Questions

What is the IUPAC name of [4-(1,2-dihydroxyethyl)piperidin-1-yl]-(4-methyl-1,2,5-thiadiazol-3-yl)methanone?
The IUPAC name of [4-(1,2-dihydroxyethyl)piperidin-1-yl]-(4-methyl-1,2,5-thiadiazol-3-yl)methanone (CID 137338018) is [4-(1,2-dihydroxyethyl)piperidin-1-yl]-(4-methyl-1,2,5-thiadiazol-3-yl)methanone.
What is the SMILES notation for [4-(1,2-dihydroxyethyl)piperidin-1-yl]-(4-methyl-1,2,5-thiadiazol-3-yl)methanone?
The canonical SMILES for [4-(1,2-dihydroxyethyl)piperidin-1-yl]-(4-methyl-1,2,5-thiadiazol-3-yl)methanone is Cc1nsnc1C(=O)N1CCC(C(O)CO)CC1.
What is the InChIKey of [4-(1,2-dihydroxyethyl)piperidin-1-yl]-(4-methyl-1,2,5-thiadiazol-3-yl)methanone?
The InChIKey is UMDLGQIBUPAXJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3S/c1-7-10(13-18-12-7)11(17)14-4-2-8(3-5-14)9(16)6-15/h8-9,15-16H,2-6H2,1H3.
What are the key properties of [4-(1,2-dihydroxyethyl)piperidin-1-yl]-(4-methyl-1,2,5-thiadiazol-3-yl)methanone?
[4-(1,2-dihydroxyethyl)piperidin-1-yl]-(4-methyl-1,2,5-thiadiazol-3-yl)methanone has a molecular weight of 271.34 g/mol, XLogP of 0.05, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1,2-dihydroxyethyl)piperidin-1-yl]-(4-methyl-1,2,5-thiadiazol-3-yl)methanone is sourced from PubChem (CID 137338018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).