(Z)-3-methyl-5-(4-methylsulfonylphenyl)-N-piperidin-1-yl-1,3,4-thiadiazol-2-imine

C15H20N4O2S2 — CID 58717408

IUPAC(Z)-3-methyl-5-(4-methylsulfonylphenyl)-N-piperidin-1-yl-1,3,4-thiadiazol-2-imine
SMILESCn1nc(-c2ccc(S(C)(=O)=O)cc2)s/c1=N\N1CCCCC1
InChIInChI=1S/C15H20N4O2S2/c1-18-15(17-19-10-4-3-5-11-19)22-14(16-18)12-6-8-13(9-7-12)23(2,20)21/h6-9H,3-5,10-11H2,1-2H3/b17-15-
InChIKeyOHHDITZEYZDDJF-ICFOKQHNSA-N
MW352.49 g/mol
LogP1.85
Rot. Bonds3

About (Z)-3-methyl-5-(4-methylsulfonylphenyl)-N-piperidin-1-yl-1,3,4-thiadiazol-2-imine

(Z)-3-methyl-5-(4-methylsulfonylphenyl)-N-piperidin-1-yl-1,3,4-thiadiazol-2-imine (PubChem CID 58717408) has the molecular formula C15H20N4O2S2 and a molecular weight of 352.49 g/mol. Its IUPAC name is (Z)-3-methyl-5-(4-methylsulfonylphenyl)-N-piperidin-1-yl-1,3,4-thiadiazol-2-imine.

Molecular Properties

Compound Name(Z)-3-methyl-5-(4-methylsulfonylphenyl)-N-piperidin-1-yl-1,3,4-thiadiazol-2-imine
PubChem CID58717408
Molecular FormulaC15H20N4O2S2
Molecular Weight352.49 g/mol
Exact Mass352.10
IUPAC Name(Z)-3-methyl-5-(4-methylsulfonylphenyl)-N-piperidin-1-yl-1,3,4-thiadiazol-2-imine
SMILESCn1nc(-c2ccc(S(C)(=O)=O)cc2)s/c1=N\N1CCCCC1
InChIInChI=1S/C15H20N4O2S2/c1-18-15(17-19-10-4-3-5-11-19)22-14(16-18)12-6-8-13(9-7-12)23(2,20)21/h6-9H,3-5,10-11H2,1-2H3/b17-15-
InChIKeyOHHDITZEYZDDJF-ICFOKQHNSA-N
XLogP1.85
TPSA67.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.49
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (Z)-3-methyl-5-(4-methylsulfonylphenyl)-N-piperidin-1-yl-1,3,4-thiadiazol-2-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (Z)-3-methyl-5-(4-methylsulfonylphenyl)-N-piperidin-1-yl-1,3,4-thiadiazol-2-imine?
The IUPAC name of (Z)-3-methyl-5-(4-methylsulfonylphenyl)-N-piperidin-1-yl-1,3,4-thiadiazol-2-imine (CID 58717408) is (Z)-3-methyl-5-(4-methylsulfonylphenyl)-N-piperidin-1-yl-1,3,4-thiadiazol-2-imine.
What is the SMILES notation for (Z)-3-methyl-5-(4-methylsulfonylphenyl)-N-piperidin-1-yl-1,3,4-thiadiazol-2-imine?
The canonical SMILES for (Z)-3-methyl-5-(4-methylsulfonylphenyl)-N-piperidin-1-yl-1,3,4-thiadiazol-2-imine is Cn1nc(-c2ccc(S(C)(=O)=O)cc2)s/c1=N\N1CCCCC1.
What is the InChIKey of (Z)-3-methyl-5-(4-methylsulfonylphenyl)-N-piperidin-1-yl-1,3,4-thiadiazol-2-imine?
The InChIKey is OHHDITZEYZDDJF-ICFOKQHNSA-N. The full InChI is InChI=1S/C15H20N4O2S2/c1-18-15(17-19-10-4-3-5-11-19)22-14(16-18)12-6-8-13(9-7-12)23(2,20)21/h6-9H,3-5,10-11H2,1-2H3/b17-15-.
What are the key properties of (Z)-3-methyl-5-(4-methylsulfonylphenyl)-N-piperidin-1-yl-1,3,4-thiadiazol-2-imine?
(Z)-3-methyl-5-(4-methylsulfonylphenyl)-N-piperidin-1-yl-1,3,4-thiadiazol-2-imine has a molecular weight of 352.49 g/mol, XLogP of 1.85, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-methyl-5-(4-methylsulfonylphenyl)-N-piperidin-1-yl-1,3,4-thiadiazol-2-imine is sourced from PubChem (CID 58717408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).