5-phenyl-2-pyrrolidin-1-yl-6H-1,3,4-thiadiazine;hydrobromide

C13H16BrN3S — CID 139225335

IUPAC5-phenyl-2-pyrrolidin-1-yl-6H-1,3,4-thiadiazine;hydrobromide
SMILESBr.c1ccc(C2=NN=C(N3CCCC3)SC2)cc1
InChIInChI=1S/C13H15N3S.BrH/c1-2-6-11(7-3-1)12-10-17-13(15-14-12)16-8-4-5-9-16;/h1-3,6-7H,4-5,8-10H2;1H
InChIKeyLMXIUOMJTNMZIH-UHFFFAOYSA-N
MW326.26 g/mol
LogP3.17
Rot. Bonds1

About 5-phenyl-2-pyrrolidin-1-yl-6H-1,3,4-thiadiazine;hydrobromide

5-phenyl-2-pyrrolidin-1-yl-6H-1,3,4-thiadiazine;hydrobromide (PubChem CID 139225335) has the molecular formula C13H16BrN3S and a molecular weight of 326.26 g/mol. Its IUPAC name is 5-phenyl-2-pyrrolidin-1-yl-6H-1,3,4-thiadiazine;hydrobromide.

Molecular Properties

Compound Name5-phenyl-2-pyrrolidin-1-yl-6H-1,3,4-thiadiazine;hydrobromide
PubChem CID139225335
Molecular FormulaC13H16BrN3S
Molecular Weight326.26 g/mol
Exact Mass325.02
IUPAC Name5-phenyl-2-pyrrolidin-1-yl-6H-1,3,4-thiadiazine;hydrobromide
SMILESBr.c1ccc(C2=NN=C(N3CCCC3)SC2)cc1
InChIInChI=1S/C13H15N3S.BrH/c1-2-6-11(7-3-1)12-10-17-13(15-14-12)16-8-4-5-9-16;/h1-3,6-7H,4-5,8-10H2;1H
InChIKeyLMXIUOMJTNMZIH-UHFFFAOYSA-N
XLogP3.17
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.26
LogP ≤ 53.17
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
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
2-(4-methylpiperazin-1-yl)-5-phenyl-6H-1,3,4-thiadiazine
CID 10048629
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-(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
5-(4-fluorophenyl)-2-pyrrolidin-1-yl-6H-1,3,4-thiadiazine;hydrobromide
CID 139225338

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-2-pyrrolidin-1-yl-6H-1,3,4-thiadiazine;hydrobromide?
The IUPAC name of 5-phenyl-2-pyrrolidin-1-yl-6H-1,3,4-thiadiazine;hydrobromide (CID 139225335) is 5-phenyl-2-pyrrolidin-1-yl-6H-1,3,4-thiadiazine;hydrobromide.
What is the SMILES notation for 5-phenyl-2-pyrrolidin-1-yl-6H-1,3,4-thiadiazine;hydrobromide?
The canonical SMILES for 5-phenyl-2-pyrrolidin-1-yl-6H-1,3,4-thiadiazine;hydrobromide is Br.c1ccc(C2=NN=C(N3CCCC3)SC2)cc1.
What is the InChIKey of 5-phenyl-2-pyrrolidin-1-yl-6H-1,3,4-thiadiazine;hydrobromide?
The InChIKey is LMXIUOMJTNMZIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3S.BrH/c1-2-6-11(7-3-1)12-10-17-13(15-14-12)16-8-4-5-9-16;/h1-3,6-7H,4-5,8-10H2;1H.
What are the key properties of 5-phenyl-2-pyrrolidin-1-yl-6H-1,3,4-thiadiazine;hydrobromide?
5-phenyl-2-pyrrolidin-1-yl-6H-1,3,4-thiadiazine;hydrobromide has a molecular weight of 326.26 g/mol, XLogP of 3.17, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-2-pyrrolidin-1-yl-6H-1,3,4-thiadiazine;hydrobromide is sourced from PubChem (CID 139225335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).