5-(4-chlorophenyl)-2-piperidin-1-yl-6H-1,3,4-thiadiazine

C14H16ClN3S — CID 581800

IUPAC5-(4-chlorophenyl)-2-piperidin-1-yl-6H-1,3,4-thiadiazine
SMILESClc1ccc(C2=NN=C(N3CCCCC3)SC2)cc1
InChIInChI=1S/C14H16ClN3S/c15-12-6-4-11(5-7-12)13-10-19-14(17-16-13)18-8-2-1-3-9-18/h4-7H,1-3,8-10H2
InChIKeyWAOAWDXEJBPOOM-UHFFFAOYSA-N
MW293.82 g/mol
LogP3.63
Rot. Bonds1

About 5-(4-chlorophenyl)-2-piperidin-1-yl-6H-1,3,4-thiadiazine

5-(4-chlorophenyl)-2-piperidin-1-yl-6H-1,3,4-thiadiazine (PubChem CID 581800) has the molecular formula C14H16ClN3S and a molecular weight of 293.82 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-2-piperidin-1-yl-6H-1,3,4-thiadiazine.

Molecular Properties

Compound Name5-(4-chlorophenyl)-2-piperidin-1-yl-6H-1,3,4-thiadiazine
PubChem CID581800
Molecular FormulaC14H16ClN3S
Molecular Weight293.82 g/mol
Exact Mass293.08
IUPAC Name5-(4-chlorophenyl)-2-piperidin-1-yl-6H-1,3,4-thiadiazine
SMILESClc1ccc(C2=NN=C(N3CCCCC3)SC2)cc1
InChIInChI=1S/C14H16ClN3S/c15-12-6-4-11(5-7-12)13-10-19-14(17-16-13)18-8-2-1-3-9-18/h4-7H,1-3,8-10H2
InChIKeyWAOAWDXEJBPOOM-UHFFFAOYSA-N
XLogP3.63
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.82
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-(4-chlorophenyl)-2-piperidin-1-yl-6H-1,3,4-thiadiazine with MolForge

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

Launch Full Analysis

Related Compounds

5-(4-chlorophenyl)-2-pyrrolidin-1-yl-6H-1,3,4-thiadiazine
CID 668278
2-Piperidino-5-(4-fluorphenyl)-6H-1,3,4-thiadiazine
CID 139225331
5-(4-chlorophenyl)-2-pyrrolidin-1-yl-6H-1,3,4-thiadiazine bromide
CID 45109682
5-(4-chlorophenyl)-2-pyrrolidinyl-6H-1,3,4-thiadiazine, bromide
CID 24206977
6-(4-chlorophenyl)-N,N-dimethyl-6H-1,3,4-thiadiazin-2-amine
CID 134890902
5-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)-6H-1,3,4-thiadiazine;hydrobromide
CID 139225346
5-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)-6H-1,3,4-thiadiazine
CID 139225347
5-(4-fluorophenyl)-2-piperidin-1-yl-6H-1,3,4-thiadiazine;hydrobromide
CID 139225354
5,6-diphenyl-2-piperidin-1-yl-6H-1,3,4-thiadiazine
CID 12332476
5-phenyl-2-piperidin-1-yl-6H-1,3,4-thiadiazine
CID 12356177
5-(2,4-dichlorophenyl)-N,N-dimethyl-6H-1,3,4-thiadiazin-2-amine
CID 12836995
5-(2,4-dichlorophenyl)-N,N-dimethyl-6H-1,3,4-thiadiazin-2-amine monohydrochloride
CID 12836996

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-2-piperidin-1-yl-6H-1,3,4-thiadiazine?
The IUPAC name of 5-(4-chlorophenyl)-2-piperidin-1-yl-6H-1,3,4-thiadiazine (CID 581800) is 5-(4-chlorophenyl)-2-piperidin-1-yl-6H-1,3,4-thiadiazine.
What is the SMILES notation for 5-(4-chlorophenyl)-2-piperidin-1-yl-6H-1,3,4-thiadiazine?
The canonical SMILES for 5-(4-chlorophenyl)-2-piperidin-1-yl-6H-1,3,4-thiadiazine is Clc1ccc(C2=NN=C(N3CCCCC3)SC2)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-2-piperidin-1-yl-6H-1,3,4-thiadiazine?
The InChIKey is WAOAWDXEJBPOOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3S/c15-12-6-4-11(5-7-12)13-10-19-14(17-16-13)18-8-2-1-3-9-18/h4-7H,1-3,8-10H2.
What are the key properties of 5-(4-chlorophenyl)-2-piperidin-1-yl-6H-1,3,4-thiadiazine?
5-(4-chlorophenyl)-2-piperidin-1-yl-6H-1,3,4-thiadiazine has a molecular weight of 293.82 g/mol, XLogP of 3.63, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-2-piperidin-1-yl-6H-1,3,4-thiadiazine is sourced from PubChem (CID 581800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).