5-(3-bromophenyl)-2-thiomorpholin-4-yl-6H-1,3,4-thiadiazine

C13H14BrN3S2 — CID 15549664

IUPAC5-(3-bromophenyl)-2-thiomorpholin-4-yl-6H-1,3,4-thiadiazine
SMILESBrc1cccc(C2=NN=C(N3CCSCC3)SC2)c1
InChIInChI=1S/C13H14BrN3S2/c14-11-3-1-2-10(8-11)12-9-19-13(16-15-12)17-4-6-18-7-5-17/h1-3,8H,4-7,9H2
InChIKeyCRVFVIBPUHGHHF-UHFFFAOYSA-N
MW356.31 g/mol
LogP3.30
Rot. Bonds1

About 5-(3-bromophenyl)-2-thiomorpholin-4-yl-6H-1,3,4-thiadiazine

5-(3-bromophenyl)-2-thiomorpholin-4-yl-6H-1,3,4-thiadiazine (PubChem CID 15549664) has the molecular formula C13H14BrN3S2 and a molecular weight of 356.31 g/mol. Its IUPAC name is 5-(3-bromophenyl)-2-thiomorpholin-4-yl-6H-1,3,4-thiadiazine.

Molecular Properties

Compound Name5-(3-bromophenyl)-2-thiomorpholin-4-yl-6H-1,3,4-thiadiazine
PubChem CID15549664
Molecular FormulaC13H14BrN3S2
Molecular Weight356.31 g/mol
Exact Mass354.98
IUPAC Name5-(3-bromophenyl)-2-thiomorpholin-4-yl-6H-1,3,4-thiadiazine
SMILESBrc1cccc(C2=NN=C(N3CCSCC3)SC2)c1
InChIInChI=1S/C13H14BrN3S2/c14-11-3-1-2-10(8-11)12-9-19-13(16-15-12)17-4-6-18-7-5-17/h1-3,8H,4-7,9H2
InChIKeyCRVFVIBPUHGHHF-UHFFFAOYSA-N
XLogP3.30
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.31
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-bromophenyl)-2-(4-methylpiperazin-1-yl)-6H-1,3,4-thiadiazine
CID 10391783
2-Thiomorpholin-4-yl-5-phenyl-6h-1,3,4-thiadiazine hydrobromide
CID 129870331
5(4'-Bromophenyl)-2-thiomorpholin-4-yl-6h-1,3,4-thiadiazine hydrobromide
CID 129870441
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-bromophenyl)-2-(4-methylpiperazin-1-yl)-6H-1,3,4-thiadiazine;hydrobromide
CID 139225345
5-(4-fluorophenyl)-2-thiomorpholin-4-yl-6H-1,3,4-thiadiazine
CID 129870447
4-[5-(3-bromophenyl)-6H-1,3,4-thiadiazin-2-yl]morpholine
CID 15549661
5-phenyl-2-thiomorpholin-4-yl-6H-1,3,4-thiadiazine
CID 15549662
2-(azepan-1-yl)-5-(4-bromophenyl)-6H-1,3,4-thiadiazine
CID 18356928
5-(4-bromophenyl)-2-(4-methylpiperazin-1-yl)-6H-1,3,4-thiadiazine;dihydrobromide
CID 10391782

Frequently Asked Questions

What is the IUPAC name of 5-(3-bromophenyl)-2-thiomorpholin-4-yl-6H-1,3,4-thiadiazine?
The IUPAC name of 5-(3-bromophenyl)-2-thiomorpholin-4-yl-6H-1,3,4-thiadiazine (CID 15549664) is 5-(3-bromophenyl)-2-thiomorpholin-4-yl-6H-1,3,4-thiadiazine.
What is the SMILES notation for 5-(3-bromophenyl)-2-thiomorpholin-4-yl-6H-1,3,4-thiadiazine?
The canonical SMILES for 5-(3-bromophenyl)-2-thiomorpholin-4-yl-6H-1,3,4-thiadiazine is Brc1cccc(C2=NN=C(N3CCSCC3)SC2)c1.
What is the InChIKey of 5-(3-bromophenyl)-2-thiomorpholin-4-yl-6H-1,3,4-thiadiazine?
The InChIKey is CRVFVIBPUHGHHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3S2/c14-11-3-1-2-10(8-11)12-9-19-13(16-15-12)17-4-6-18-7-5-17/h1-3,8H,4-7,9H2.
What are the key properties of 5-(3-bromophenyl)-2-thiomorpholin-4-yl-6H-1,3,4-thiadiazine?
5-(3-bromophenyl)-2-thiomorpholin-4-yl-6H-1,3,4-thiadiazine has a molecular weight of 356.31 g/mol, XLogP of 3.30, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromophenyl)-2-thiomorpholin-4-yl-6H-1,3,4-thiadiazine is sourced from PubChem (CID 15549664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).