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

C10H17N3S2 — CID 71778056

IUPAC2-methyl-5-(2-piperidin-4-ylethylsulfanyl)-1,3,4-thiadiazole
SMILESCc1nnc(SCCC2CCNCC2)s1
InChIInChI=1S/C10H17N3S2/c1-8-12-13-10(15-8)14-7-4-9-2-5-11-6-3-9/h9,11H,2-7H2,1H3
InChIKeySSZODPWCISWCDX-UHFFFAOYSA-N
MW243.40 g/mol
LogP2.33
Rot. Bonds4

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

2-methyl-5-(2-piperidin-4-ylethylsulfanyl)-1,3,4-thiadiazole (PubChem CID 71778056) has the molecular formula C10H17N3S2 and a molecular weight of 243.40 g/mol. Its IUPAC name is 2-methyl-5-(2-piperidin-4-ylethylsulfanyl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-methyl-5-(2-piperidin-4-ylethylsulfanyl)-1,3,4-thiadiazole
PubChem CID71778056
Molecular FormulaC10H17N3S2
Molecular Weight243.40 g/mol
Exact Mass243.09
IUPAC Name2-methyl-5-(2-piperidin-4-ylethylsulfanyl)-1,3,4-thiadiazole
SMILESCc1nnc(SCCC2CCNCC2)s1
InChIInChI=1S/C10H17N3S2/c1-8-12-13-10(15-8)14-7-4-9-2-5-11-6-3-9/h9,11H,2-7H2,1H3
InChIKeySSZODPWCISWCDX-UHFFFAOYSA-N
XLogP2.33
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.40
LogP ≤ 52.33
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?
The IUPAC name of 2-methyl-5-(2-piperidin-4-ylethylsulfanyl)-1,3,4-thiadiazole (CID 71778056) is 2-methyl-5-(2-piperidin-4-ylethylsulfanyl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-methyl-5-(2-piperidin-4-ylethylsulfanyl)-1,3,4-thiadiazole?
The canonical SMILES for 2-methyl-5-(2-piperidin-4-ylethylsulfanyl)-1,3,4-thiadiazole is Cc1nnc(SCCC2CCNCC2)s1.
What is the InChIKey of 2-methyl-5-(2-piperidin-4-ylethylsulfanyl)-1,3,4-thiadiazole?
The InChIKey is SSZODPWCISWCDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3S2/c1-8-12-13-10(15-8)14-7-4-9-2-5-11-6-3-9/h9,11H,2-7H2,1H3.
What are the key properties of 2-methyl-5-(2-piperidin-4-ylethylsulfanyl)-1,3,4-thiadiazole?
2-methyl-5-(2-piperidin-4-ylethylsulfanyl)-1,3,4-thiadiazole has a molecular weight of 243.40 g/mol, XLogP of 2.33, 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 is sourced from PubChem (CID 71778056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).