(5S)-5-[3-chloro-5-[5-(4-piperidin-1-ylphenyl)-1,3,4-oxadiazol-2-yl]thiophen-2-yl]-2,5-dimethyl-1-oxo-6H-1,2,4-thiadiazin-3-amine

C22H25ClN6O2S2 — CID 134423050

IUPAC(5S)-5-[3-chloro-5-[5-(4-piperidin-1-ylphenyl)-1,3,4-oxadiazol-2-yl]thiophen-2-yl]-2,5-dimethyl-1-oxo-6H-1,2,4-thiadiazin-3-amine
SMILESCN1C(N)=N[C@](C)(c2sc(-c3nnc(-c4ccc(N5CCCCC5)cc4)o3)cc2Cl)CS1=O
InChIInChI=1S/C22H25ClN6O2S2/c1-22(13-33(30)28(2)21(24)25-22)18-16(23)12-17(32-18)20-27-26-19(31-20)14-6-8-15(9-7-14)29-10-4-3-5-11-29/h6-9,12H,3-5,10-11,13H2,1-2H3,(H2,24,25)/t22-,33?/m0/s1
InChIKeyFQZYZLZMFLKESX-LJPZCQIFSA-N
MW505.07 g/mol
LogP4.25
Rot. Bonds4

About (5S)-5-[3-chloro-5-[5-(4-piperidin-1-ylphenyl)-1,3,4-oxadiazol-2-yl]thiophen-2-yl]-2,5-dimethyl-1-oxo-6H-1,2,4-thiadiazin-3-amine

(5S)-5-[3-chloro-5-[5-(4-piperidin-1-ylphenyl)-1,3,4-oxadiazol-2-yl]thiophen-2-yl]-2,5-dimethyl-1-oxo-6H-1,2,4-thiadiazin-3-amine (PubChem CID 134423050) has the molecular formula C22H25ClN6O2S2 and a molecular weight of 505.07 g/mol. Its IUPAC name is (5S)-5-[3-chloro-5-[5-(4-piperidin-1-ylphenyl)-1,3,4-oxadiazol-2-yl]thiophen-2-yl]-2,5-dimethyl-1-oxo-6H-1,2,4-thiadiazin-3-amine.

Molecular Properties

Compound Name(5S)-5-[3-chloro-5-[5-(4-piperidin-1-ylphenyl)-1,3,4-oxadiazol-2-yl]thiophen-2-yl]-2,5-dimethyl-1-oxo-6H-1,2,4-thiadiazin-3-amine
PubChem CID134423050
Molecular FormulaC22H25ClN6O2S2
Molecular Weight505.07 g/mol
Exact Mass504.12
IUPAC Name(5S)-5-[3-chloro-5-[5-(4-piperidin-1-ylphenyl)-1,3,4-oxadiazol-2-yl]thiophen-2-yl]-2,5-dimethyl-1-oxo-6H-1,2,4-thiadiazin-3-amine
SMILESCN1C(N)=N[C@](C)(c2sc(-c3nnc(-c4ccc(N5CCCCC5)cc4)o3)cc2Cl)CS1=O
InChIInChI=1S/C22H25ClN6O2S2/c1-22(13-33(30)28(2)21(24)25-22)18-16(23)12-17(32-18)20-27-26-19(31-20)14-6-8-15(9-7-14)29-10-4-3-5-11-29/h6-9,12H,3-5,10-11,13H2,1-2H3,(H2,24,25)/t22-,33?/m0/s1
InChIKeyFQZYZLZMFLKESX-LJPZCQIFSA-N
XLogP4.25
TPSA100.85 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.07
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze (5S)-5-[3-chloro-5-[5-(4-piperidin-1-ylphenyl)-1,3,4-oxadiazol-2-yl]thiophen-2-yl]-2,5-dimethyl-1-oxo-6H-1,2,4-thiadiazin-3-amine 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 (5S)-5-[3-chloro-5-[5-(4-piperidin-1-ylphenyl)-1,3,4-oxadiazol-2-yl]thiophen-2-yl]-2,5-dimethyl-1-oxo-6H-1,2,4-thiadiazin-3-amine?
The IUPAC name of (5S)-5-[3-chloro-5-[5-(4-piperidin-1-ylphenyl)-1,3,4-oxadiazol-2-yl]thiophen-2-yl]-2,5-dimethyl-1-oxo-6H-1,2,4-thiadiazin-3-amine (CID 134423050) is (5S)-5-[3-chloro-5-[5-(4-piperidin-1-ylphenyl)-1,3,4-oxadiazol-2-yl]thiophen-2-yl]-2,5-dimethyl-1-oxo-6H-1,2,4-thiadiazin-3-amine.
What is the SMILES notation for (5S)-5-[3-chloro-5-[5-(4-piperidin-1-ylphenyl)-1,3,4-oxadiazol-2-yl]thiophen-2-yl]-2,5-dimethyl-1-oxo-6H-1,2,4-thiadiazin-3-amine?
The canonical SMILES for (5S)-5-[3-chloro-5-[5-(4-piperidin-1-ylphenyl)-1,3,4-oxadiazol-2-yl]thiophen-2-yl]-2,5-dimethyl-1-oxo-6H-1,2,4-thiadiazin-3-amine is CN1C(N)=N[C@](C)(c2sc(-c3nnc(-c4ccc(N5CCCCC5)cc4)o3)cc2Cl)CS1=O.
What is the InChIKey of (5S)-5-[3-chloro-5-[5-(4-piperidin-1-ylphenyl)-1,3,4-oxadiazol-2-yl]thiophen-2-yl]-2,5-dimethyl-1-oxo-6H-1,2,4-thiadiazin-3-amine?
The InChIKey is FQZYZLZMFLKESX-LJPZCQIFSA-N. The full InChI is InChI=1S/C22H25ClN6O2S2/c1-22(13-33(30)28(2)21(24)25-22)18-16(23)12-17(32-18)20-27-26-19(31-20)14-6-8-15(9-7-14)29-10-4-3-5-11-29/h6-9,12H,3-5,10-11,13H2,1-2H3,(H2,24,25)/t22-,33?/m0/s1.
What are the key properties of (5S)-5-[3-chloro-5-[5-(4-piperidin-1-ylphenyl)-1,3,4-oxadiazol-2-yl]thiophen-2-yl]-2,5-dimethyl-1-oxo-6H-1,2,4-thiadiazin-3-amine?
(5S)-5-[3-chloro-5-[5-(4-piperidin-1-ylphenyl)-1,3,4-oxadiazol-2-yl]thiophen-2-yl]-2,5-dimethyl-1-oxo-6H-1,2,4-thiadiazin-3-amine has a molecular weight of 505.07 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[3-chloro-5-[5-(4-piperidin-1-ylphenyl)-1,3,4-oxadiazol-2-yl]thiophen-2-yl]-2,5-dimethyl-1-oxo-6H-1,2,4-thiadiazin-3-amine is sourced from PubChem (CID 134423050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).