2-[1-[[5-(methylamino)thiadiazol-4-yl]methyl]piperidin-4-yl]oxyethanol

C11H20N4O2S — CID 82691379

IUPAC2-[1-[[5-(methylamino)thiadiazol-4-yl]methyl]piperidin-4-yl]oxyethanol
SMILESCNc1snnc1CN1CCC(OCCO)CC1
InChIInChI=1S/C11H20N4O2S/c1-12-11-10(13-14-18-11)8-15-4-2-9(3-5-15)17-7-6-16/h9,12,16H,2-8H2,1H3
InChIKeyQNXZVQOYCDYJLZ-UHFFFAOYSA-N
MW272.37 g/mol
LogP0.55
Rot. Bonds6

About 2-[1-[[5-(methylamino)thiadiazol-4-yl]methyl]piperidin-4-yl]oxyethanol

2-[1-[[5-(methylamino)thiadiazol-4-yl]methyl]piperidin-4-yl]oxyethanol (PubChem CID 82691379) has the molecular formula C11H20N4O2S and a molecular weight of 272.37 g/mol. Its IUPAC name is 2-[1-[[5-(methylamino)thiadiazol-4-yl]methyl]piperidin-4-yl]oxyethanol.

Molecular Properties

Compound Name2-[1-[[5-(methylamino)thiadiazol-4-yl]methyl]piperidin-4-yl]oxyethanol
PubChem CID82691379
Molecular FormulaC11H20N4O2S
Molecular Weight272.37 g/mol
Exact Mass272.13
IUPAC Name2-[1-[[5-(methylamino)thiadiazol-4-yl]methyl]piperidin-4-yl]oxyethanol
SMILESCNc1snnc1CN1CCC(OCCO)CC1
InChIInChI=1S/C11H20N4O2S/c1-12-11-10(13-14-18-11)8-15-4-2-9(3-5-15)17-7-6-16/h9,12,16H,2-8H2,1H3
InChIKeyQNXZVQOYCDYJLZ-UHFFFAOYSA-N
XLogP0.55
TPSA70.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[1-[[5-(methylamino)thiadiazol-4-yl]methyl]piperidin-4-yl]oxyethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-4-[(3-methylpyrrolidin-1-yl)methyl]thiadiazol-5-amine
CID 62182093
4-[(4,4-dimethylpiperidin-1-yl)methyl]-N-methylthiadiazol-5-amine
CID 62931824
N-methyl-4-(thiomorpholin-4-ylmethyl)thiadiazol-5-amine
CID 62178560
4-(cyclopentyloxymethyl)-N-methylthiadiazol-5-amine
CID 62193841
4-methyl-1-[[5-(methylamino)thiadiazol-4-yl]methyl]azepan-4-ol
CID 107408560
[1-[[5-(ethylamino)thiadiazol-4-yl]methyl]piperidin-4-yl]methanol
CID 62176993
4-[(4-ethyl-3-methylpiperazin-1-yl)methyl]-N-methylthiadiazol-5-amine
CID 63634062
5-chloro-4-[(4-methoxypiperidin-1-yl)methyl]thiadiazole
CID 43409300
N-ethyl-4-[(4-ethylpiperidin-1-yl)methyl]thiadiazol-5-amine
CID 55046378
4-[(4-cyclopropylpiperazin-1-yl)methyl]-N-ethylthiadiazol-5-amine
CID 62209514
2-[1-[4-(methylamino)cyclohexyl]piperidin-4-yl]oxyethanol
CID 114763538
4-[(3-propoxypiperidin-1-yl)methyl]-N-propylthiadiazol-5-amine
CID 62207774

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[5-(methylamino)thiadiazol-4-yl]methyl]piperidin-4-yl]oxyethanol?
The IUPAC name of 2-[1-[[5-(methylamino)thiadiazol-4-yl]methyl]piperidin-4-yl]oxyethanol (CID 82691379) is 2-[1-[[5-(methylamino)thiadiazol-4-yl]methyl]piperidin-4-yl]oxyethanol.
What is the SMILES notation for 2-[1-[[5-(methylamino)thiadiazol-4-yl]methyl]piperidin-4-yl]oxyethanol?
The canonical SMILES for 2-[1-[[5-(methylamino)thiadiazol-4-yl]methyl]piperidin-4-yl]oxyethanol is CNc1snnc1CN1CCC(OCCO)CC1.
What is the InChIKey of 2-[1-[[5-(methylamino)thiadiazol-4-yl]methyl]piperidin-4-yl]oxyethanol?
The InChIKey is QNXZVQOYCDYJLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2S/c1-12-11-10(13-14-18-11)8-15-4-2-9(3-5-15)17-7-6-16/h9,12,16H,2-8H2,1H3.
What are the key properties of 2-[1-[[5-(methylamino)thiadiazol-4-yl]methyl]piperidin-4-yl]oxyethanol?
2-[1-[[5-(methylamino)thiadiazol-4-yl]methyl]piperidin-4-yl]oxyethanol has a molecular weight of 272.37 g/mol, XLogP of 0.55, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[5-(methylamino)thiadiazol-4-yl]methyl]piperidin-4-yl]oxyethanol is sourced from PubChem (CID 82691379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).