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

C14H17BrFN3S — CID 139225354

IUPAC5-(4-fluorophenyl)-2-piperidin-1-yl-6H-1,3,4-thiadiazine;hydrobromide
SMILESBr.Fc1ccc(C2=NN=C(N3CCCCC3)SC2)cc1
InChIInChI=1S/C14H16FN3S.BrH/c15-12-6-4-11(5-7-12)13-10-19-14(17-16-13)18-8-2-1-3-9-18;/h4-7H,1-3,8-10H2;1H
InChIKeyCLORJWWYQUWDNM-UHFFFAOYSA-N
MW358.28 g/mol
LogP3.70
Rot. Bonds1

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

5-(4-fluorophenyl)-2-piperidin-1-yl-6H-1,3,4-thiadiazine;hydrobromide (PubChem CID 139225354) has the molecular formula C14H17BrFN3S and a molecular weight of 358.28 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-2-piperidin-1-yl-6H-1,3,4-thiadiazine;hydrobromide.

Molecular Properties

Compound Name5-(4-fluorophenyl)-2-piperidin-1-yl-6H-1,3,4-thiadiazine;hydrobromide
PubChem CID139225354
Molecular FormulaC14H17BrFN3S
Molecular Weight358.28 g/mol
Exact Mass357.03
IUPAC Name5-(4-fluorophenyl)-2-piperidin-1-yl-6H-1,3,4-thiadiazine;hydrobromide
SMILESBr.Fc1ccc(C2=NN=C(N3CCCCC3)SC2)cc1
InChIInChI=1S/C14H16FN3S.BrH/c15-12-6-4-11(5-7-12)13-10-19-14(17-16-13)18-8-2-1-3-9-18;/h4-7H,1-3,8-10H2;1H
InChIKeyCLORJWWYQUWDNM-UHFFFAOYSA-N
XLogP3.70
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.28
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-Morpholino-5-(4-fluorophenyl)-6H-1,3,4-thiadiazine
CID 139225332
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-phenyl-2-pyrrolidinyl-6H-1,3,4-thiadiazine
CID 15171029
2-Mor-pholino-5-phenyl-6h-1,3,4-thiadiazine hydrobromide
CID 56955895
2-(4-methylpiperazin-1-yl)-5-phenyl-6H-1,3,4-thiadiazine
CID 10048629
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-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
CID 139225341

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-2-piperidin-1-yl-6H-1,3,4-thiadiazine;hydrobromide?
The IUPAC name of 5-(4-fluorophenyl)-2-piperidin-1-yl-6H-1,3,4-thiadiazine;hydrobromide (CID 139225354) is 5-(4-fluorophenyl)-2-piperidin-1-yl-6H-1,3,4-thiadiazine;hydrobromide.
What is the SMILES notation for 5-(4-fluorophenyl)-2-piperidin-1-yl-6H-1,3,4-thiadiazine;hydrobromide?
The canonical SMILES for 5-(4-fluorophenyl)-2-piperidin-1-yl-6H-1,3,4-thiadiazine;hydrobromide is Br.Fc1ccc(C2=NN=C(N3CCCCC3)SC2)cc1.
What is the InChIKey of 5-(4-fluorophenyl)-2-piperidin-1-yl-6H-1,3,4-thiadiazine;hydrobromide?
The InChIKey is CLORJWWYQUWDNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3S.BrH/c15-12-6-4-11(5-7-12)13-10-19-14(17-16-13)18-8-2-1-3-9-18;/h4-7H,1-3,8-10H2;1H.
What are the key properties of 5-(4-fluorophenyl)-2-piperidin-1-yl-6H-1,3,4-thiadiazine;hydrobromide?
5-(4-fluorophenyl)-2-piperidin-1-yl-6H-1,3,4-thiadiazine;hydrobromide has a molecular weight of 358.28 g/mol, XLogP of 3.70, 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-piperidin-1-yl-6H-1,3,4-thiadiazine;hydrobromide is sourced from PubChem (CID 139225354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).