2-methyl-5-(piperidin-3-ylmethylsulfanyl)-1,3,4-thiadiazole;hydrochloride

C9H16ClN3S2 — CID 72716546

IUPAC2-methyl-5-(piperidin-3-ylmethylsulfanyl)-1,3,4-thiadiazole;hydrochloride
SMILESCc1nnc(SCC2CCCNC2)s1.Cl
InChIInChI=1S/C9H15N3S2.ClH/c1-7-11-12-9(14-7)13-6-8-3-2-4-10-5-8;/h8,10H,2-6H2,1H3;1H
InChIKeyUDMVMBJDJPUUDB-UHFFFAOYSA-N
MW265.83 g/mol
LogP2.36
Rot. Bonds3

About 2-methyl-5-(piperidin-3-ylmethylsulfanyl)-1,3,4-thiadiazole;hydrochloride

2-methyl-5-(piperidin-3-ylmethylsulfanyl)-1,3,4-thiadiazole;hydrochloride (PubChem CID 72716546) has the molecular formula C9H16ClN3S2 and a molecular weight of 265.83 g/mol. Its IUPAC name is 2-methyl-5-(piperidin-3-ylmethylsulfanyl)-1,3,4-thiadiazole;hydrochloride.

Molecular Properties

Compound Name2-methyl-5-(piperidin-3-ylmethylsulfanyl)-1,3,4-thiadiazole;hydrochloride
PubChem CID72716546
Molecular FormulaC9H16ClN3S2
Molecular Weight265.83 g/mol
Exact Mass265.05
IUPAC Name2-methyl-5-(piperidin-3-ylmethylsulfanyl)-1,3,4-thiadiazole;hydrochloride
SMILESCc1nnc(SCC2CCCNC2)s1.Cl
InChIInChI=1S/C9H15N3S2.ClH/c1-7-11-12-9(14-7)13-6-8-3-2-4-10-5-8;/h8,10H,2-6H2,1H3;1H
InChIKeyUDMVMBJDJPUUDB-UHFFFAOYSA-N
XLogP2.36
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.83
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(5-Methyl-1,3,4-thiadiazol-2-yl)sulfanyl]piperidine
CID 18538457
4-(5-Methyl-1,3,4-thiadiazol-2-yl)piperidine
CID 33680270
3-(5-Methyl-1,3,4-thiadiazol-2-yl)piperidine
CID 45496749
2-Piperidin-4-yl-5-propan-2-yl-1,3,4-thiadiazole
CID 82470870
3-(5-Methyl-1,3,4-thiadiazol-2-yl)piperidine hydrochloride
CID 91812493
2-methyl-5-[(3R)-piperidin-3-yl]-1,3,4-thiadiazole
CID 33680291
2-methyl-5-[(3S)-piperidin-3-yl]-1,3,4-thiadiazole
CID 33680295
2-Methyl-5-(piperidin-4-ylmethylsulfanyl)-1,3,4-thiadiazole
CID 46741387
N-tert-butyl-3-methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butan-1-amine
CID 55139488
2-Methyl-5-((piperidin-3-ylmethyl)thio)-1,3,4-thiadiazole
CID 61678357
2-{2-[(5-Methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl}piperidine
CID 61683944
3-[(5-Methyl-1,3,4-thiadiazol-2-yl)sulfanyl]piperidine
CID 61685186

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(piperidin-3-ylmethylsulfanyl)-1,3,4-thiadiazole;hydrochloride?
The IUPAC name of 2-methyl-5-(piperidin-3-ylmethylsulfanyl)-1,3,4-thiadiazole;hydrochloride (CID 72716546) is 2-methyl-5-(piperidin-3-ylmethylsulfanyl)-1,3,4-thiadiazole;hydrochloride.
What is the SMILES notation for 2-methyl-5-(piperidin-3-ylmethylsulfanyl)-1,3,4-thiadiazole;hydrochloride?
The canonical SMILES for 2-methyl-5-(piperidin-3-ylmethylsulfanyl)-1,3,4-thiadiazole;hydrochloride is Cc1nnc(SCC2CCCNC2)s1.Cl.
What is the InChIKey of 2-methyl-5-(piperidin-3-ylmethylsulfanyl)-1,3,4-thiadiazole;hydrochloride?
The InChIKey is UDMVMBJDJPUUDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3S2.ClH/c1-7-11-12-9(14-7)13-6-8-3-2-4-10-5-8;/h8,10H,2-6H2,1H3;1H.
What are the key properties of 2-methyl-5-(piperidin-3-ylmethylsulfanyl)-1,3,4-thiadiazole;hydrochloride?
2-methyl-5-(piperidin-3-ylmethylsulfanyl)-1,3,4-thiadiazole;hydrochloride has a molecular weight of 265.83 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(piperidin-3-ylmethylsulfanyl)-1,3,4-thiadiazole;hydrochloride is sourced from PubChem (CID 72716546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).