2-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]methyl]-1,3-thiazol-4-ol

C13H9BrN2OS2 — CID 1482076

IUPAC2-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]methyl]-1,3-thiazol-4-ol
SMILESOc1csc(Cc2nc(-c3ccc(Br)cc3)cs2)n1
InChIInChI=1S/C13H9BrN2OS2/c14-9-3-1-8(2-4-9)10-6-18-12(15-10)5-13-16-11(17)7-19-13/h1-4,6-7,17H,5H2
InChIKeyPNSGOMNGSBJFEK-UHFFFAOYSA-N
MW353.27 g/mol
LogP4.33
Rot. Bonds3

About 2-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]methyl]-1,3-thiazol-4-ol

2-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]methyl]-1,3-thiazol-4-ol (PubChem CID 1482076) has the molecular formula C13H9BrN2OS2 and a molecular weight of 353.27 g/mol. Its IUPAC name is 2-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]methyl]-1,3-thiazol-4-ol.

Molecular Properties

Compound Name2-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]methyl]-1,3-thiazol-4-ol
PubChem CID1482076
Molecular FormulaC13H9BrN2OS2
Molecular Weight353.27 g/mol
Exact Mass351.93
IUPAC Name2-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]methyl]-1,3-thiazol-4-ol
SMILESOc1csc(Cc2nc(-c3ccc(Br)cc3)cs2)n1
InChIInChI=1S/C13H9BrN2OS2/c14-9-3-1-8(2-4-9)10-6-18-12(15-10)5-13-16-11(17)7-19-13/h1-4,6-7,17H,5H2
InChIKeyPNSGOMNGSBJFEK-UHFFFAOYSA-N
XLogP4.33
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.27
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]methyl]-1,3-thiazol-4-ol?
The IUPAC name of 2-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]methyl]-1,3-thiazol-4-ol (CID 1482076) is 2-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]methyl]-1,3-thiazol-4-ol.
What is the SMILES notation for 2-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]methyl]-1,3-thiazol-4-ol?
The canonical SMILES for 2-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]methyl]-1,3-thiazol-4-ol is Oc1csc(Cc2nc(-c3ccc(Br)cc3)cs2)n1.
What is the InChIKey of 2-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]methyl]-1,3-thiazol-4-ol?
The InChIKey is PNSGOMNGSBJFEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrN2OS2/c14-9-3-1-8(2-4-9)10-6-18-12(15-10)5-13-16-11(17)7-19-13/h1-4,6-7,17H,5H2.
What are the key properties of 2-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]methyl]-1,3-thiazol-4-ol?
2-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]methyl]-1,3-thiazol-4-ol has a molecular weight of 353.27 g/mol, XLogP of 4.33, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]methyl]-1,3-thiazol-4-ol is sourced from PubChem (CID 1482076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).