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

C10H17N3S3 — CID 105061392

IUPAC2-methylsulfanyl-5-(2-piperidin-4-ylethylsulfanyl)-1,3,4-thiadiazole
SMILESCSc1nnc(SCCC2CCNCC2)s1
InChIInChI=1S/C10H17N3S3/c1-14-9-12-13-10(16-9)15-7-4-8-2-5-11-6-3-8/h8,11H,2-7H2,1H3
InChIKeyBMHGANOORPSLGD-UHFFFAOYSA-N
MW275.47 g/mol
LogP2.74
Rot. Bonds5

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

2-methylsulfanyl-5-(2-piperidin-4-ylethylsulfanyl)-1,3,4-thiadiazole (PubChem CID 105061392) has the molecular formula C10H17N3S3 and a molecular weight of 275.47 g/mol. Its IUPAC name is 2-methylsulfanyl-5-(2-piperidin-4-ylethylsulfanyl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-methylsulfanyl-5-(2-piperidin-4-ylethylsulfanyl)-1,3,4-thiadiazole
PubChem CID105061392
Molecular FormulaC10H17N3S3
Molecular Weight275.47 g/mol
Exact Mass275.06
IUPAC Name2-methylsulfanyl-5-(2-piperidin-4-ylethylsulfanyl)-1,3,4-thiadiazole
SMILESCSc1nnc(SCCC2CCNCC2)s1
InChIInChI=1S/C10H17N3S3/c1-14-9-12-13-10(16-9)15-7-4-8-2-5-11-6-3-8/h8,11H,2-7H2,1H3
InChIKeyBMHGANOORPSLGD-UHFFFAOYSA-N
XLogP2.74
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.47
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-Methyl-5-(piperidin-4-ylmethylsulfanyl)-1,3,4-thiadiazole
CID 46741387
2-(Piperidin-3-ylmethylsulfanyl)-1,3,4-thiadiazole
CID 61678009
2-Methyl-5-((piperidin-3-ylmethyl)thio)-1,3,4-thiadiazole
CID 61678357
2-(Piperidin-4-ylmethylsulfanyl)-1,3,4-thiadiazole
CID 61683809
2-Methyl-5-(2-piperidin-3-ylethylsulfanyl)-1,3,4-thiadiazole
CID 62357220
2-(2-Piperidin-3-ylethylsulfanyl)-1,3,4-thiadiazole
CID 62358215
4-methyl-N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethyl]pentan-1-amine
CID 62578534
N,N-dimethyl-5-(piperidin-4-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine
CID 63738017
4-{2-[(5-Methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl}piperidine
CID 71778056
3-{[(5-Methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}piperidine hydrochloride
CID 72716546
4-{2-[(5-Methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl}piperidine hydrochloride
CID 72716658
N-ethyl-3-methyl-1-(1,3,4-thiadiazol-2-ylsulfanyl)pentan-2-amine
CID 80451021

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-5-(2-piperidin-4-ylethylsulfanyl)-1,3,4-thiadiazole?
The IUPAC name of 2-methylsulfanyl-5-(2-piperidin-4-ylethylsulfanyl)-1,3,4-thiadiazole (CID 105061392) is 2-methylsulfanyl-5-(2-piperidin-4-ylethylsulfanyl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-methylsulfanyl-5-(2-piperidin-4-ylethylsulfanyl)-1,3,4-thiadiazole?
The canonical SMILES for 2-methylsulfanyl-5-(2-piperidin-4-ylethylsulfanyl)-1,3,4-thiadiazole is CSc1nnc(SCCC2CCNCC2)s1.
What is the InChIKey of 2-methylsulfanyl-5-(2-piperidin-4-ylethylsulfanyl)-1,3,4-thiadiazole?
The InChIKey is BMHGANOORPSLGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3S3/c1-14-9-12-13-10(16-9)15-7-4-8-2-5-11-6-3-8/h8,11H,2-7H2,1H3.
What are the key properties of 2-methylsulfanyl-5-(2-piperidin-4-ylethylsulfanyl)-1,3,4-thiadiazole?
2-methylsulfanyl-5-(2-piperidin-4-ylethylsulfanyl)-1,3,4-thiadiazole has a molecular weight of 275.47 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-5-(2-piperidin-4-ylethylsulfanyl)-1,3,4-thiadiazole is sourced from PubChem (CID 105061392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).