2-methyl-5-piperidin-4-ylsulfanyl-1,3,4-thiadiazole;hydrochloride

C8H14ClN3S2 — CID 72716088

IUPAC2-methyl-5-piperidin-4-ylsulfanyl-1,3,4-thiadiazole;hydrochloride
SMILESCc1nnc(SC2CCNCC2)s1.Cl
InChIInChI=1S/C8H13N3S2.ClH/c1-6-10-11-8(12-6)13-7-2-4-9-5-3-7;/h7,9H,2-5H2,1H3;1H
InChIKeyJIMFRUWCHNONRF-UHFFFAOYSA-N
MW251.81 g/mol
LogP2.11
Rot. Bonds2

About 2-methyl-5-piperidin-4-ylsulfanyl-1,3,4-thiadiazole;hydrochloride

2-methyl-5-piperidin-4-ylsulfanyl-1,3,4-thiadiazole;hydrochloride (PubChem CID 72716088) has the molecular formula C8H14ClN3S2 and a molecular weight of 251.81 g/mol. Its IUPAC name is 2-methyl-5-piperidin-4-ylsulfanyl-1,3,4-thiadiazole;hydrochloride.

Molecular Properties

Compound Name2-methyl-5-piperidin-4-ylsulfanyl-1,3,4-thiadiazole;hydrochloride
PubChem CID72716088
Molecular FormulaC8H14ClN3S2
Molecular Weight251.81 g/mol
Exact Mass251.03
IUPAC Name2-methyl-5-piperidin-4-ylsulfanyl-1,3,4-thiadiazole;hydrochloride
SMILESCc1nnc(SC2CCNCC2)s1.Cl
InChIInChI=1S/C8H13N3S2.ClH/c1-6-10-11-8(12-6)13-7-2-4-9-5-3-7;/h7,9H,2-5H2,1H3;1H
InChIKeyJIMFRUWCHNONRF-UHFFFAOYSA-N
XLogP2.11
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.81
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-piperidin-4-ylsulfanyl-1,3,4-thiadiazole;hydrochloride?
The IUPAC name of 2-methyl-5-piperidin-4-ylsulfanyl-1,3,4-thiadiazole;hydrochloride (CID 72716088) is 2-methyl-5-piperidin-4-ylsulfanyl-1,3,4-thiadiazole;hydrochloride.
What is the SMILES notation for 2-methyl-5-piperidin-4-ylsulfanyl-1,3,4-thiadiazole;hydrochloride?
The canonical SMILES for 2-methyl-5-piperidin-4-ylsulfanyl-1,3,4-thiadiazole;hydrochloride is Cc1nnc(SC2CCNCC2)s1.Cl.
What is the InChIKey of 2-methyl-5-piperidin-4-ylsulfanyl-1,3,4-thiadiazole;hydrochloride?
The InChIKey is JIMFRUWCHNONRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3S2.ClH/c1-6-10-11-8(12-6)13-7-2-4-9-5-3-7;/h7,9H,2-5H2,1H3;1H.
What are the key properties of 2-methyl-5-piperidin-4-ylsulfanyl-1,3,4-thiadiazole;hydrochloride?
2-methyl-5-piperidin-4-ylsulfanyl-1,3,4-thiadiazole;hydrochloride has a molecular weight of 251.81 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-piperidin-4-ylsulfanyl-1,3,4-thiadiazole;hydrochloride is sourced from PubChem (CID 72716088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).