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

C9H15N3S2 — CID 46741387

IUPAC2-methyl-5-(piperidin-4-ylmethylsulfanyl)-1,3,4-thiadiazole
SMILESCc1nnc(SCC2CCNCC2)s1
InChIInChI=1S/C9H15N3S2/c1-7-11-12-9(14-7)13-6-8-2-4-10-5-3-8/h8,10H,2-6H2,1H3
InChIKeyBCZPWDSMLXNNIH-UHFFFAOYSA-N
MW229.37 g/mol
LogP1.94
Rot. Bonds3

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

2-methyl-5-(piperidin-4-ylmethylsulfanyl)-1,3,4-thiadiazole (PubChem CID 46741387) has the molecular formula C9H15N3S2 and a molecular weight of 229.37 g/mol. Its IUPAC name is 2-methyl-5-(piperidin-4-ylmethylsulfanyl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-methyl-5-(piperidin-4-ylmethylsulfanyl)-1,3,4-thiadiazole
PubChem CID46741387
Molecular FormulaC9H15N3S2
Molecular Weight229.37 g/mol
Exact Mass229.07
IUPAC Name2-methyl-5-(piperidin-4-ylmethylsulfanyl)-1,3,4-thiadiazole
SMILESCc1nnc(SCC2CCNCC2)s1
InChIInChI=1S/C9H15N3S2/c1-7-11-12-9(14-7)13-6-8-2-4-10-5-3-8/h8,10H,2-6H2,1H3
InChIKeyBCZPWDSMLXNNIH-UHFFFAOYSA-N
XLogP1.94
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 51.94
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
4-(1,3,4-Thiadiazol-2-yl)piperidine
CID 57069814
4-Fluoro-4-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]piperidine
CID 164661749
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-Piperidin-4-yl-1,3,4-thiadiazole;hydrochloride
CID 146382371
4-(5-Cyclopropyl-1,3,4-thiadiazol-2-yl)piperidine
CID 33680275
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
N-tert-butyl-3-methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butan-1-amine
CID 55139488

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(piperidin-4-ylmethylsulfanyl)-1,3,4-thiadiazole?
The IUPAC name of 2-methyl-5-(piperidin-4-ylmethylsulfanyl)-1,3,4-thiadiazole (CID 46741387) is 2-methyl-5-(piperidin-4-ylmethylsulfanyl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-methyl-5-(piperidin-4-ylmethylsulfanyl)-1,3,4-thiadiazole?
The canonical SMILES for 2-methyl-5-(piperidin-4-ylmethylsulfanyl)-1,3,4-thiadiazole is Cc1nnc(SCC2CCNCC2)s1.
What is the InChIKey of 2-methyl-5-(piperidin-4-ylmethylsulfanyl)-1,3,4-thiadiazole?
The InChIKey is BCZPWDSMLXNNIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3S2/c1-7-11-12-9(14-7)13-6-8-2-4-10-5-3-8/h8,10H,2-6H2,1H3.
What are the key properties of 2-methyl-5-(piperidin-4-ylmethylsulfanyl)-1,3,4-thiadiazole?
2-methyl-5-(piperidin-4-ylmethylsulfanyl)-1,3,4-thiadiazole has a molecular weight of 229.37 g/mol, XLogP of 1.94, 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-4-ylmethylsulfanyl)-1,3,4-thiadiazole is sourced from PubChem (CID 46741387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).