[2-(4-bromophenyl)-1,3-thiazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone

C19H16BrNO4S — CID 25257458

IUPAC[2-(4-bromophenyl)-1,3-thiazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2csc(-c3ccc(Br)cc3)n2)cc(OC)c1OC
InChIInChI=1S/C19H16BrNO4S/c1-23-15-8-12(9-16(24-2)18(15)25-3)17(22)14-10-26-19(21-14)11-4-6-13(20)7-5-11/h4-10H,1-3H3
InChIKeyZQGOBXPCJJATRI-UHFFFAOYSA-N
MW434.31 g/mol
LogP4.83
Rot. Bonds6

About [2-(4-bromophenyl)-1,3-thiazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone

[2-(4-bromophenyl)-1,3-thiazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 25257458) has the molecular formula C19H16BrNO4S and a molecular weight of 434.31 g/mol. Its IUPAC name is [2-(4-bromophenyl)-1,3-thiazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name[2-(4-bromophenyl)-1,3-thiazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone
PubChem CID25257458
Molecular FormulaC19H16BrNO4S
Molecular Weight434.31 g/mol
Exact Mass433.00
IUPAC Name[2-(4-bromophenyl)-1,3-thiazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2csc(-c3ccc(Br)cc3)n2)cc(OC)c1OC
InChIInChI=1S/C19H16BrNO4S/c1-23-15-8-12(9-16(24-2)18(15)25-3)17(22)14-10-26-19(21-14)11-4-6-13(20)7-5-11/h4-10H,1-3H3
InChIKeyZQGOBXPCJJATRI-UHFFFAOYSA-N
XLogP4.83
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.31
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-(4-bromophenyl)-1,3-thiazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of [2-(4-bromophenyl)-1,3-thiazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone (CID 25257458) is [2-(4-bromophenyl)-1,3-thiazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for [2-(4-bromophenyl)-1,3-thiazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for [2-(4-bromophenyl)-1,3-thiazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone is COc1cc(C(=O)c2csc(-c3ccc(Br)cc3)n2)cc(OC)c1OC.
What is the InChIKey of [2-(4-bromophenyl)-1,3-thiazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is ZQGOBXPCJJATRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrNO4S/c1-23-15-8-12(9-16(24-2)18(15)25-3)17(22)14-10-26-19(21-14)11-4-6-13(20)7-5-11/h4-10H,1-3H3.
What are the key properties of [2-(4-bromophenyl)-1,3-thiazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone?
[2-(4-bromophenyl)-1,3-thiazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 434.31 g/mol, XLogP of 4.83, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-bromophenyl)-1,3-thiazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 25257458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).