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

C10H18ClN3S2 — CID 72716658

IUPAC2-methyl-5-(2-piperidin-4-ylethylsulfanyl)-1,3,4-thiadiazole;hydrochloride
SMILESCc1nnc(SCCC2CCNCC2)s1.Cl
InChIInChI=1S/C10H17N3S2.ClH/c1-8-12-13-10(15-8)14-7-4-9-2-5-11-6-3-9;/h9,11H,2-7H2,1H3;1H
InChIKeyJLGYYCZHPQZJSR-UHFFFAOYSA-N
MW279.86 g/mol
LogP2.75
Rot. Bonds4

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

2-methyl-5-(2-piperidin-4-ylethylsulfanyl)-1,3,4-thiadiazole;hydrochloride (PubChem CID 72716658) has the molecular formula C10H18ClN3S2 and a molecular weight of 279.86 g/mol. Its IUPAC name is 2-methyl-5-(2-piperidin-4-ylethylsulfanyl)-1,3,4-thiadiazole;hydrochloride.

Molecular Properties

Compound Name2-methyl-5-(2-piperidin-4-ylethylsulfanyl)-1,3,4-thiadiazole;hydrochloride
PubChem CID72716658
Molecular FormulaC10H18ClN3S2
Molecular Weight279.86 g/mol
Exact Mass279.06
IUPAC Name2-methyl-5-(2-piperidin-4-ylethylsulfanyl)-1,3,4-thiadiazole;hydrochloride
SMILESCc1nnc(SCCC2CCNCC2)s1.Cl
InChIInChI=1S/C10H17N3S2.ClH/c1-8-12-13-10(15-8)14-7-4-9-2-5-11-6-3-9;/h9,11H,2-7H2,1H3;1H
InChIKeyJLGYYCZHPQZJSR-UHFFFAOYSA-N
XLogP2.75
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.86
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(2-piperidin-4-ylethylsulfanyl)-1,3,4-thiadiazole;hydrochloride?
The IUPAC name of 2-methyl-5-(2-piperidin-4-ylethylsulfanyl)-1,3,4-thiadiazole;hydrochloride (CID 72716658) is 2-methyl-5-(2-piperidin-4-ylethylsulfanyl)-1,3,4-thiadiazole;hydrochloride.
What is the SMILES notation for 2-methyl-5-(2-piperidin-4-ylethylsulfanyl)-1,3,4-thiadiazole;hydrochloride?
The canonical SMILES for 2-methyl-5-(2-piperidin-4-ylethylsulfanyl)-1,3,4-thiadiazole;hydrochloride is Cc1nnc(SCCC2CCNCC2)s1.Cl.
What is the InChIKey of 2-methyl-5-(2-piperidin-4-ylethylsulfanyl)-1,3,4-thiadiazole;hydrochloride?
The InChIKey is JLGYYCZHPQZJSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3S2.ClH/c1-8-12-13-10(15-8)14-7-4-9-2-5-11-6-3-9;/h9,11H,2-7H2,1H3;1H.
What are the key properties of 2-methyl-5-(2-piperidin-4-ylethylsulfanyl)-1,3,4-thiadiazole;hydrochloride?
2-methyl-5-(2-piperidin-4-ylethylsulfanyl)-1,3,4-thiadiazole;hydrochloride has a molecular weight of 279.86 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(2-piperidin-4-ylethylsulfanyl)-1,3,4-thiadiazole;hydrochloride is sourced from PubChem (CID 72716658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).