N-(2-morpholin-4-ylethyl)-2,3-diphenyl-1,2,4-thiadiazol-5-imine

C20H22N4OS — CID 51038980

IUPACN-(2-morpholin-4-ylethyl)-2,3-diphenyl-1,2,4-thiadiazol-5-imine
SMILESc1ccc(-c2n/c(=N\CCN3CCOCC3)sn2-c2ccccc2)cc1
InChIInChI=1S/C20H22N4OS/c1-3-7-17(8-4-1)19-22-20(21-11-12-23-13-15-25-16-14-23)26-24(19)18-9-5-2-6-10-18/h1-10H,11-16H2/b21-20+
InChIKeyDUDNZBPCJBAIFT-QZQOTICOSA-N
MW366.49 g/mol
LogP2.83
Rot. Bonds5

About N-(2-morpholin-4-ylethyl)-2,3-diphenyl-1,2,4-thiadiazol-5-imine

N-(2-morpholin-4-ylethyl)-2,3-diphenyl-1,2,4-thiadiazol-5-imine (PubChem CID 51038980) has the molecular formula C20H22N4OS and a molecular weight of 366.49 g/mol. Its IUPAC name is N-(2-morpholin-4-ylethyl)-2,3-diphenyl-1,2,4-thiadiazol-5-imine.

Molecular Properties

Compound NameN-(2-morpholin-4-ylethyl)-2,3-diphenyl-1,2,4-thiadiazol-5-imine
PubChem CID51038980
Molecular FormulaC20H22N4OS
Molecular Weight366.49 g/mol
Exact Mass366.15
IUPAC NameN-(2-morpholin-4-ylethyl)-2,3-diphenyl-1,2,4-thiadiazol-5-imine
SMILESc1ccc(-c2n/c(=N\CCN3CCOCC3)sn2-c2ccccc2)cc1
InChIInChI=1S/C20H22N4OS/c1-3-7-17(8-4-1)19-22-20(21-11-12-23-13-15-25-16-14-23)26-24(19)18-9-5-2-6-10-18/h1-10H,11-16H2/b21-20+
InChIKeyDUDNZBPCJBAIFT-QZQOTICOSA-N
XLogP2.83
TPSA42.65 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_thio_N_5A(3)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylethyl)-2,3-diphenyl-1,2,4-thiadiazol-5-imine?
The IUPAC name of N-(2-morpholin-4-ylethyl)-2,3-diphenyl-1,2,4-thiadiazol-5-imine (CID 51038980) is N-(2-morpholin-4-ylethyl)-2,3-diphenyl-1,2,4-thiadiazol-5-imine.
What is the SMILES notation for N-(2-morpholin-4-ylethyl)-2,3-diphenyl-1,2,4-thiadiazol-5-imine?
The canonical SMILES for N-(2-morpholin-4-ylethyl)-2,3-diphenyl-1,2,4-thiadiazol-5-imine is c1ccc(-c2n/c(=N\CCN3CCOCC3)sn2-c2ccccc2)cc1.
What is the InChIKey of N-(2-morpholin-4-ylethyl)-2,3-diphenyl-1,2,4-thiadiazol-5-imine?
The InChIKey is DUDNZBPCJBAIFT-QZQOTICOSA-N. The full InChI is InChI=1S/C20H22N4OS/c1-3-7-17(8-4-1)19-22-20(21-11-12-23-13-15-25-16-14-23)26-24(19)18-9-5-2-6-10-18/h1-10H,11-16H2/b21-20+.
What are the key properties of N-(2-morpholin-4-ylethyl)-2,3-diphenyl-1,2,4-thiadiazol-5-imine?
N-(2-morpholin-4-ylethyl)-2,3-diphenyl-1,2,4-thiadiazol-5-imine has a molecular weight of 366.49 g/mol, XLogP of 2.83, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylethyl)-2,3-diphenyl-1,2,4-thiadiazol-5-imine is sourced from PubChem (CID 51038980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).