(NZ)-N-(3,5-dimethyl-4,6-diphenyl-1,3,5-thiadiazinan-2-ylidene)piperidine-1-carboxamide

C23H28N4OS — CID 13485430

IUPAC(NZ)-N-(3,5-dimethyl-4,6-diphenyl-1,3,5-thiadiazinan-2-ylidene)piperidine-1-carboxamide
SMILESCN1/C(=N/C(=O)N2CCCCC2)SC(c2ccccc2)N(C)C1c1ccccc1
InChIInChI=1S/C23H28N4OS/c1-25-20(18-12-6-3-7-13-18)26(2)23(24-22(28)27-16-10-5-11-17-27)29-21(25)19-14-8-4-9-15-19/h3-4,6-9,12-15,20-21H,5,10-11,16-17H2,1-2H3/b24-23-
InChIKeyCSVPZCLRUUZBMB-VHXPQNKSSA-N
MW408.57 g/mol
LogP4.96
Rot. Bonds2

About (NZ)-N-(3,5-dimethyl-4,6-diphenyl-1,3,5-thiadiazinan-2-ylidene)piperidine-1-carboxamide

(NZ)-N-(3,5-dimethyl-4,6-diphenyl-1,3,5-thiadiazinan-2-ylidene)piperidine-1-carboxamide (PubChem CID 13485430) has the molecular formula C23H28N4OS and a molecular weight of 408.57 g/mol. Its IUPAC name is (NZ)-N-(3,5-dimethyl-4,6-diphenyl-1,3,5-thiadiazinan-2-ylidene)piperidine-1-carboxamide.

Molecular Properties

Compound Name(NZ)-N-(3,5-dimethyl-4,6-diphenyl-1,3,5-thiadiazinan-2-ylidene)piperidine-1-carboxamide
PubChem CID13485430
Molecular FormulaC23H28N4OS
Molecular Weight408.57 g/mol
Exact Mass408.20
IUPAC Name(NZ)-N-(3,5-dimethyl-4,6-diphenyl-1,3,5-thiadiazinan-2-ylidene)piperidine-1-carboxamide
SMILESCN1/C(=N/C(=O)N2CCCCC2)SC(c2ccccc2)N(C)C1c1ccccc1
InChIInChI=1S/C23H28N4OS/c1-25-20(18-12-6-3-7-13-18)26(2)23(24-22(28)27-16-10-5-11-17-27)29-21(25)19-14-8-4-9-15-19/h3-4,6-9,12-15,20-21H,5,10-11,16-17H2,1-2H3/b24-23-
InChIKeyCSVPZCLRUUZBMB-VHXPQNKSSA-N
XLogP4.96
TPSA39.15 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.57
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (NZ)-N-(3,5-dimethyl-4,6-diphenyl-1,3,5-thiadiazinan-2-ylidene)piperidine-1-carboxamide?
The IUPAC name of (NZ)-N-(3,5-dimethyl-4,6-diphenyl-1,3,5-thiadiazinan-2-ylidene)piperidine-1-carboxamide (CID 13485430) is (NZ)-N-(3,5-dimethyl-4,6-diphenyl-1,3,5-thiadiazinan-2-ylidene)piperidine-1-carboxamide.
What is the SMILES notation for (NZ)-N-(3,5-dimethyl-4,6-diphenyl-1,3,5-thiadiazinan-2-ylidene)piperidine-1-carboxamide?
The canonical SMILES for (NZ)-N-(3,5-dimethyl-4,6-diphenyl-1,3,5-thiadiazinan-2-ylidene)piperidine-1-carboxamide is CN1/C(=N/C(=O)N2CCCCC2)SC(c2ccccc2)N(C)C1c1ccccc1.
What is the InChIKey of (NZ)-N-(3,5-dimethyl-4,6-diphenyl-1,3,5-thiadiazinan-2-ylidene)piperidine-1-carboxamide?
The InChIKey is CSVPZCLRUUZBMB-VHXPQNKSSA-N. The full InChI is InChI=1S/C23H28N4OS/c1-25-20(18-12-6-3-7-13-18)26(2)23(24-22(28)27-16-10-5-11-17-27)29-21(25)19-14-8-4-9-15-19/h3-4,6-9,12-15,20-21H,5,10-11,16-17H2,1-2H3/b24-23-.
What are the key properties of (NZ)-N-(3,5-dimethyl-4,6-diphenyl-1,3,5-thiadiazinan-2-ylidene)piperidine-1-carboxamide?
(NZ)-N-(3,5-dimethyl-4,6-diphenyl-1,3,5-thiadiazinan-2-ylidene)piperidine-1-carboxamide has a molecular weight of 408.57 g/mol, XLogP of 4.96, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-(3,5-dimethyl-4,6-diphenyl-1,3,5-thiadiazinan-2-ylidene)piperidine-1-carboxamide is sourced from PubChem (CID 13485430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).