5,6-diphenyl-2-pyrrolidin-1-yl-6H-1,3,4-thiadiazine

C19H19N3S — CID 139225356

IUPAC5,6-diphenyl-2-pyrrolidin-1-yl-6H-1,3,4-thiadiazine
SMILESc1ccc(C2=NN=C(N3CCCC3)SC2c2ccccc2)cc1
InChIInChI=1S/C19H19N3S/c1-3-9-15(10-4-1)17-18(16-11-5-2-6-12-16)23-19(21-20-17)22-13-7-8-14-22/h1-6,9-12,18H,7-8,13-14H2
InChIKeyWVYIUEOURQVVEN-UHFFFAOYSA-N
MW321.45 g/mol
LogP4.33
Rot. Bonds2

About 5,6-diphenyl-2-pyrrolidin-1-yl-6H-1,3,4-thiadiazine

5,6-diphenyl-2-pyrrolidin-1-yl-6H-1,3,4-thiadiazine (PubChem CID 139225356) has the molecular formula C19H19N3S and a molecular weight of 321.45 g/mol. Its IUPAC name is 5,6-diphenyl-2-pyrrolidin-1-yl-6H-1,3,4-thiadiazine.

Molecular Properties

Compound Name5,6-diphenyl-2-pyrrolidin-1-yl-6H-1,3,4-thiadiazine
PubChem CID139225356
Molecular FormulaC19H19N3S
Molecular Weight321.45 g/mol
Exact Mass321.13
IUPAC Name5,6-diphenyl-2-pyrrolidin-1-yl-6H-1,3,4-thiadiazine
SMILESc1ccc(C2=NN=C(N3CCCC3)SC2c2ccccc2)cc1
InChIInChI=1S/C19H19N3S/c1-3-9-15(10-4-1)17-18(16-11-5-2-6-12-16)23-19(21-20-17)22-13-7-8-14-22/h1-6,9-12,18H,7-8,13-14H2
InChIKeyWVYIUEOURQVVEN-UHFFFAOYSA-N
XLogP4.33
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.45
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-Piperidino-5-(4-fluorphenyl)-6H-1,3,4-thiadiazine
CID 139225331
5-(4-fluorophenyl)-2-pyrrolidin-1-yl-6H-1,3,4-thiadiazine
CID 139225339
5-phenyl-2-pyrrolidinyl-6H-1,3,4-thiadiazine
CID 15171029
2-(4-methylpiperazin-1-yl)-5-phenyl-6H-1,3,4-thiadiazine
CID 10048629
N,N-dimethyl-5,6-diphenyl-6H-1,3,4-thiadiazin-2-amine
CID 12332475
2-Thiomorpholin-4-yl-5-phenyl-6h-1,3,4-thiadiazine hydrobromide
CID 129870331
5-phenyl-2-pyrrolidin-1-yl-6H-1,3,4-thiadiazine;hydrobromide
CID 139225335
5-(4-fluorophenyl)-2-pyrrolidin-1-yl-6H-1,3,4-thiadiazine;hydrobromide
CID 139225338
5-(4-methylphenyl)-2-pyrrolidin-1-yl-6H-1,3,4-thiadiazine;hydrochloride
CID 139225340
5-(4-methylphenyl)-2-pyrrolidin-1-yl-6H-1,3,4-thiadiazine
CID 139225341
2-(4-methylpiperazin-1-yl)-5,6-diphenyl-6H-1,3,4-thiadiazine;hydrochloride
CID 139225352
2-(4-methylpiperazin-1-yl)-5,6-diphenyl-6H-1,3,4-thiadiazine
CID 139225353

Frequently Asked Questions

What is the IUPAC name of 5,6-diphenyl-2-pyrrolidin-1-yl-6H-1,3,4-thiadiazine?
The IUPAC name of 5,6-diphenyl-2-pyrrolidin-1-yl-6H-1,3,4-thiadiazine (CID 139225356) is 5,6-diphenyl-2-pyrrolidin-1-yl-6H-1,3,4-thiadiazine.
What is the SMILES notation for 5,6-diphenyl-2-pyrrolidin-1-yl-6H-1,3,4-thiadiazine?
The canonical SMILES for 5,6-diphenyl-2-pyrrolidin-1-yl-6H-1,3,4-thiadiazine is c1ccc(C2=NN=C(N3CCCC3)SC2c2ccccc2)cc1.
What is the InChIKey of 5,6-diphenyl-2-pyrrolidin-1-yl-6H-1,3,4-thiadiazine?
The InChIKey is WVYIUEOURQVVEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3S/c1-3-9-15(10-4-1)17-18(16-11-5-2-6-12-16)23-19(21-20-17)22-13-7-8-14-22/h1-6,9-12,18H,7-8,13-14H2.
What are the key properties of 5,6-diphenyl-2-pyrrolidin-1-yl-6H-1,3,4-thiadiazine?
5,6-diphenyl-2-pyrrolidin-1-yl-6H-1,3,4-thiadiazine has a molecular weight of 321.45 g/mol, XLogP of 4.33, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diphenyl-2-pyrrolidin-1-yl-6H-1,3,4-thiadiazine is sourced from PubChem (CID 139225356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).