2-[1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]piperidin-4-yl]-N-methylethanamine

C11H19ClN4S — CID 80606353

IUPAC2-[1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]piperidin-4-yl]-N-methylethanamine
SMILESCNCCC1CCN(Cc2nnc(Cl)s2)CC1
InChIInChI=1S/C11H19ClN4S/c1-13-5-2-9-3-6-16(7-4-9)8-10-14-15-11(12)17-10/h9,13H,2-8H2,1H3
InChIKeyGLEPUOKONCXLBH-UHFFFAOYSA-N
MW274.82 g/mol
LogP2.01
Rot. Bonds5

About 2-[1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]piperidin-4-yl]-N-methylethanamine

2-[1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]piperidin-4-yl]-N-methylethanamine (PubChem CID 80606353) has the molecular formula C11H19ClN4S and a molecular weight of 274.82 g/mol. Its IUPAC name is 2-[1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]piperidin-4-yl]-N-methylethanamine.

Molecular Properties

Compound Name2-[1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]piperidin-4-yl]-N-methylethanamine
PubChem CID80606353
Molecular FormulaC11H19ClN4S
Molecular Weight274.82 g/mol
Exact Mass274.10
IUPAC Name2-[1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]piperidin-4-yl]-N-methylethanamine
SMILESCNCCC1CCN(Cc2nnc(Cl)s2)CC1
InChIInChI=1S/C11H19ClN4S/c1-13-5-2-9-3-6-16(7-4-9)8-10-14-15-11(12)17-10/h9,13H,2-8H2,1H3
InChIKeyGLEPUOKONCXLBH-UHFFFAOYSA-N
XLogP2.01
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.82
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]piperidin-4-yl]-N-methylethanamine 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

1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-N-methylpyrrolidin-3-amine
CID 115300700
2-[1-[(4-chlorothiophen-2-yl)methyl]piperidin-4-yl]-N-methylethanamine;hydrochloride
CID 120843473
2-chloro-5-[(4-cyclopropylpiperazin-1-yl)methyl]-1,3,4-thiadiazole
CID 80610856
1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-N,N-dimethylpyrrolidin-3-amine
CID 80609765
2-[1-[(2,3-dichloro-4-fluorophenyl)methyl]piperidin-4-yl]-N-methylethanamine;hydrochloride
CID 120843537
N-[[1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]piperidin-3-yl]methyl]propan-2-amine
CID 80606645
4-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-2,6-dimethylthiomorpholine
CID 80610456
2-chloro-5-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3,4-thiadiazole
CID 80611144
N-methyl-2-[1-[(2-propan-2-ylpyrazol-3-yl)methyl]piperidin-4-yl]ethanamine;hydrochloride
CID 120843546
2-[1-[(2-fluoro-5-methylphenyl)methyl]piperidin-4-yl]-N-methylethanamine
CID 104869888
2-[1-[(3-bromo-2,6-difluorophenyl)methyl]piperidin-4-yl]-N-methylethanamine
CID 106264865
[1-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]piperidin-4-yl]methanol
CID 80606257

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]piperidin-4-yl]-N-methylethanamine?
The IUPAC name of 2-[1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]piperidin-4-yl]-N-methylethanamine (CID 80606353) is 2-[1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]piperidin-4-yl]-N-methylethanamine.
What is the SMILES notation for 2-[1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]piperidin-4-yl]-N-methylethanamine?
The canonical SMILES for 2-[1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]piperidin-4-yl]-N-methylethanamine is CNCCC1CCN(Cc2nnc(Cl)s2)CC1.
What is the InChIKey of 2-[1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]piperidin-4-yl]-N-methylethanamine?
The InChIKey is GLEPUOKONCXLBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19ClN4S/c1-13-5-2-9-3-6-16(7-4-9)8-10-14-15-11(12)17-10/h9,13H,2-8H2,1H3.
What are the key properties of 2-[1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]piperidin-4-yl]-N-methylethanamine?
2-[1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]piperidin-4-yl]-N-methylethanamine has a molecular weight of 274.82 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]piperidin-4-yl]-N-methylethanamine is sourced from PubChem (CID 80606353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).