5-(4-fluorophenyl)-2-pyrrolidin-1-yl-6H-1,3,4-thiadiazine;hydrobromide

C13H15BrFN3S — CID 139225338

IUPAC5-(4-fluorophenyl)-2-pyrrolidin-1-yl-6H-1,3,4-thiadiazine;hydrobromide
SMILESBr.Fc1ccc(C2=NN=C(N3CCCC3)SC2)cc1
InChIInChI=1S/C13H14FN3S.BrH/c14-11-5-3-10(4-6-11)12-9-18-13(16-15-12)17-7-1-2-8-17;/h3-6H,1-2,7-9H2;1H
InChIKeyWGJSEBWPTUDROR-UHFFFAOYSA-N
MW344.25 g/mol
LogP3.31
Rot. Bonds1

About 5-(4-fluorophenyl)-2-pyrrolidin-1-yl-6H-1,3,4-thiadiazine;hydrobromide

5-(4-fluorophenyl)-2-pyrrolidin-1-yl-6H-1,3,4-thiadiazine;hydrobromide (PubChem CID 139225338) has the molecular formula C13H15BrFN3S and a molecular weight of 344.25 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-2-pyrrolidin-1-yl-6H-1,3,4-thiadiazine;hydrobromide.

Molecular Properties

Compound Name5-(4-fluorophenyl)-2-pyrrolidin-1-yl-6H-1,3,4-thiadiazine;hydrobromide
PubChem CID139225338
Molecular FormulaC13H15BrFN3S
Molecular Weight344.25 g/mol
Exact Mass343.02
IUPAC Name5-(4-fluorophenyl)-2-pyrrolidin-1-yl-6H-1,3,4-thiadiazine;hydrobromide
SMILESBr.Fc1ccc(C2=NN=C(N3CCCC3)SC2)cc1
InChIInChI=1S/C13H14FN3S.BrH/c14-11-5-3-10(4-6-11)12-9-18-13(16-15-12)17-7-1-2-8-17;/h3-6H,1-2,7-9H2;1H
InChIKeyWGJSEBWPTUDROR-UHFFFAOYSA-N
XLogP3.31
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.25
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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
2-(N-Methyl-piperazino)-5-(4-fluorophenyl)-6H-1,3,4-thiadiazine
CID 139225333
5-(4-fluorophenyl)-2-pyrrolidin-1-yl-6H-1,3,4-thiadiazine
CID 139225339
5-(4-chlorophenyl)-2-pyrrolidin-1-yl-6H-1,3,4-thiadiazine bromide
CID 45109682
5-phenyl-2-pyrrolidinyl-6H-1,3,4-thiadiazine
CID 15171029
5-(4-chlorophenyl)-2-pyrrolidinyl-6H-1,3,4-thiadiazine, bromide
CID 24206977
2-Thiomorpholin-4-yl-5-phenyl-6h-1,3,4-thiadiazine hydrobromide
CID 129870331
2-Thiomorpholin-4-yl-5-(4'-fluorophenyl)-6h-1,3,4-thiadiazine hydrobromide
CID 129870446
5-phenyl-2-pyrrolidin-1-yl-6H-1,3,4-thiadiazine;hydrobromide
CID 139225335
5-(4-bromophenyl)-2-pyrrolidin-1-yl-6H-1,3,4-thiadiazine;hydrobromide
CID 139225336
5-(4-bromophenyl)-2-pyrrolidin-1-yl-6H-1,3,4-thiadiazine
CID 139225337

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-2-pyrrolidin-1-yl-6H-1,3,4-thiadiazine;hydrobromide?
The IUPAC name of 5-(4-fluorophenyl)-2-pyrrolidin-1-yl-6H-1,3,4-thiadiazine;hydrobromide (CID 139225338) is 5-(4-fluorophenyl)-2-pyrrolidin-1-yl-6H-1,3,4-thiadiazine;hydrobromide.
What is the SMILES notation for 5-(4-fluorophenyl)-2-pyrrolidin-1-yl-6H-1,3,4-thiadiazine;hydrobromide?
The canonical SMILES for 5-(4-fluorophenyl)-2-pyrrolidin-1-yl-6H-1,3,4-thiadiazine;hydrobromide is Br.Fc1ccc(C2=NN=C(N3CCCC3)SC2)cc1.
What is the InChIKey of 5-(4-fluorophenyl)-2-pyrrolidin-1-yl-6H-1,3,4-thiadiazine;hydrobromide?
The InChIKey is WGJSEBWPTUDROR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3S.BrH/c14-11-5-3-10(4-6-11)12-9-18-13(16-15-12)17-7-1-2-8-17;/h3-6H,1-2,7-9H2;1H.
What are the key properties of 5-(4-fluorophenyl)-2-pyrrolidin-1-yl-6H-1,3,4-thiadiazine;hydrobromide?
5-(4-fluorophenyl)-2-pyrrolidin-1-yl-6H-1,3,4-thiadiazine;hydrobromide has a molecular weight of 344.25 g/mol, XLogP of 3.31, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-2-pyrrolidin-1-yl-6H-1,3,4-thiadiazine;hydrobromide is sourced from PubChem (CID 139225338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).