5-[[5-(4-benzylpiperidin-1-yl)sulfonyl-2-pyridinyl]sulfanyl]-N-methyl-1,3,4-thiadiazol-2-amine

C20H23N5O2S3 — CID 16617996

IUPAC5-[[5-(4-benzylpiperidin-1-yl)sulfonyl-2-pyridinyl]sulfanyl]-N-methyl-1,3,4-thiadiazol-2-amine
SMILESCNc1nnc(Sc2ccc(S(=O)(=O)N3CCC(Cc4ccccc4)CC3)cn2)s1
InChIInChI=1S/C20H23N5O2S3/c1-21-19-23-24-20(29-19)28-18-8-7-17(14-22-18)30(26,27)25-11-9-16(10-12-25)13-15-5-3-2-4-6-15/h2-8,14,16H,9-13H2,1H3,(H,21,23)
InChIKeyFYOZNVKDZYHHLK-UHFFFAOYSA-N
MW461.64 g/mol
LogP3.77
Rot. Bonds7

About 5-[[5-(4-benzylpiperidin-1-yl)sulfonyl-2-pyridinyl]sulfanyl]-N-methyl-1,3,4-thiadiazol-2-amine

5-[[5-(4-benzylpiperidin-1-yl)sulfonyl-2-pyridinyl]sulfanyl]-N-methyl-1,3,4-thiadiazol-2-amine (PubChem CID 16617996) has the molecular formula C20H23N5O2S3 and a molecular weight of 461.64 g/mol. Its IUPAC name is 5-[[5-(4-benzylpiperidin-1-yl)sulfonyl-2-pyridinyl]sulfanyl]-N-methyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[[5-(4-benzylpiperidin-1-yl)sulfonyl-2-pyridinyl]sulfanyl]-N-methyl-1,3,4-thiadiazol-2-amine
PubChem CID16617996
Molecular FormulaC20H23N5O2S3
Molecular Weight461.64 g/mol
Exact Mass461.10
IUPAC Name5-[[5-(4-benzylpiperidin-1-yl)sulfonyl-2-pyridinyl]sulfanyl]-N-methyl-1,3,4-thiadiazol-2-amine
SMILESCNc1nnc(Sc2ccc(S(=O)(=O)N3CCC(Cc4ccccc4)CC3)cn2)s1
InChIInChI=1S/C20H23N5O2S3/c1-21-19-23-24-20(29-19)28-18-8-7-17(14-22-18)30(26,27)25-11-9-16(10-12-25)13-15-5-3-2-4-6-15/h2-8,14,16H,9-13H2,1H3,(H,21,23)
InChIKeyFYOZNVKDZYHHLK-UHFFFAOYSA-N
XLogP3.77
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.64
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 5-[[5-(4-benzylpiperidin-1-yl)sulfonyl-2-pyridinyl]sulfanyl]-N-methyl-1,3,4-thiadiazol-2-amine with MolForge

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Related Compounds

5-[[5-(4-benzylpiperidin-1-yl)sulfonyl-2-pyridinyl]sulfanyl]-N-prop-2-enyl-1,3,4-thiadiazol-2-amine
CID 16605562
1-[(6-benzylsulfanyl-3-pyridinyl)sulfonyl]azepane
CID 7593932
1-methyl-4-[(6-phenylsulfanyl-3-pyridinyl)sulfonyl]piperazine
CID 17480565
2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]-1,3-benzothiazole
CID 32681682
4-benzyl-1-[4-(trifluoromethyl)phenyl]sulfonylpiperidine
CID 3855275
4-benzyl-1-(4-bromo-3-methylphenyl)sulfonylpiperidine
CID 7938048
4-(4-benzylpiperidin-1-yl)sulfonyl-N-butylaniline
CID 110826779
N-phenyl-4-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanylmethyl]-1,3-thiazol-2-amine
CID 38969728
2-[[5-(4-benzylpiperazin-1-yl)sulfonyl-2-pyridinyl]sulfanyl]-N-methylacetamide
CID 8877841
N-[4-(4-benzylpiperidin-1-yl)sulfonylphenyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 26906391
4-benzyl-1-(chloromethylsulfonyl)piperidine
CID 63666156
5-(4-benzylpiperidin-1-yl)sulfonyl-2-chloroaniline
CID 23120376

Frequently Asked Questions

What is the IUPAC name of 5-[[5-(4-benzylpiperidin-1-yl)sulfonyl-2-pyridinyl]sulfanyl]-N-methyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[[5-(4-benzylpiperidin-1-yl)sulfonyl-2-pyridinyl]sulfanyl]-N-methyl-1,3,4-thiadiazol-2-amine (CID 16617996) is 5-[[5-(4-benzylpiperidin-1-yl)sulfonyl-2-pyridinyl]sulfanyl]-N-methyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[[5-(4-benzylpiperidin-1-yl)sulfonyl-2-pyridinyl]sulfanyl]-N-methyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[[5-(4-benzylpiperidin-1-yl)sulfonyl-2-pyridinyl]sulfanyl]-N-methyl-1,3,4-thiadiazol-2-amine is CNc1nnc(Sc2ccc(S(=O)(=O)N3CCC(Cc4ccccc4)CC3)cn2)s1.
What is the InChIKey of 5-[[5-(4-benzylpiperidin-1-yl)sulfonyl-2-pyridinyl]sulfanyl]-N-methyl-1,3,4-thiadiazol-2-amine?
The InChIKey is FYOZNVKDZYHHLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2S3/c1-21-19-23-24-20(29-19)28-18-8-7-17(14-22-18)30(26,27)25-11-9-16(10-12-25)13-15-5-3-2-4-6-15/h2-8,14,16H,9-13H2,1H3,(H,21,23).
What are the key properties of 5-[[5-(4-benzylpiperidin-1-yl)sulfonyl-2-pyridinyl]sulfanyl]-N-methyl-1,3,4-thiadiazol-2-amine?
5-[[5-(4-benzylpiperidin-1-yl)sulfonyl-2-pyridinyl]sulfanyl]-N-methyl-1,3,4-thiadiazol-2-amine has a molecular weight of 461.64 g/mol, XLogP of 3.77, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-(4-benzylpiperidin-1-yl)sulfonyl-2-pyridinyl]sulfanyl]-N-methyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 16617996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).