3-(4-bromophenyl)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one

C11H10BrN3OS — CID 1303792

IUPAC3-(4-bromophenyl)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one
SMILESO=C1CSC2=NCN(c3ccc(Br)cc3)CN12
InChIInChI=1S/C11H10BrN3OS/c12-8-1-3-9(4-2-8)14-6-13-11-15(7-14)10(16)5-17-11/h1-4H,5-7H2
InChIKeyWLTFBURLBJUODN-UHFFFAOYSA-N
MW312.19 g/mol
LogP2.12
Rot. Bonds1

About 3-(4-bromophenyl)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one

3-(4-bromophenyl)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one (PubChem CID 1303792) has the molecular formula C11H10BrN3OS and a molecular weight of 312.19 g/mol. Its IUPAC name is 3-(4-bromophenyl)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one.

Molecular Properties

Compound Name3-(4-bromophenyl)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one
PubChem CID1303792
Molecular FormulaC11H10BrN3OS
Molecular Weight312.19 g/mol
Exact Mass310.97
IUPAC Name3-(4-bromophenyl)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one
SMILESO=C1CSC2=NCN(c3ccc(Br)cc3)CN12
InChIInChI=1S/C11H10BrN3OS/c12-8-1-3-9(4-2-8)14-6-13-11-15(7-14)10(16)5-17-11/h1-4H,5-7H2
InChIKeyWLTFBURLBJUODN-UHFFFAOYSA-N
XLogP2.12
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.19
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one?
The IUPAC name of 3-(4-bromophenyl)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one (CID 1303792) is 3-(4-bromophenyl)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one.
What is the SMILES notation for 3-(4-bromophenyl)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one?
The canonical SMILES for 3-(4-bromophenyl)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one is O=C1CSC2=NCN(c3ccc(Br)cc3)CN12.
What is the InChIKey of 3-(4-bromophenyl)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one?
The InChIKey is WLTFBURLBJUODN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrN3OS/c12-8-1-3-9(4-2-8)14-6-13-11-15(7-14)10(16)5-17-11/h1-4H,5-7H2.
What are the key properties of 3-(4-bromophenyl)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one?
3-(4-bromophenyl)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one has a molecular weight of 312.19 g/mol, XLogP of 2.12, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one is sourced from PubChem (CID 1303792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).