4-(3-bromophenyl)-2-[(2-methoxyphenyl)methyl]-1,3-thiazole

C17H14BrNOS — CID 79832018

IUPAC4-(3-bromophenyl)-2-[(2-methoxyphenyl)methyl]-1,3-thiazole
SMILESCOc1ccccc1Cc1nc(-c2cccc(Br)c2)cs1
InChIInChI=1S/C17H14BrNOS/c1-20-16-8-3-2-5-13(16)10-17-19-15(11-21-17)12-6-4-7-14(18)9-12/h2-9,11H,10H2,1H3
InChIKeyFZNRSDIOHYSING-UHFFFAOYSA-N
MW360.28 g/mol
LogP5.17
Rot. Bonds4

About 4-(3-bromophenyl)-2-[(2-methoxyphenyl)methyl]-1,3-thiazole

4-(3-bromophenyl)-2-[(2-methoxyphenyl)methyl]-1,3-thiazole (PubChem CID 79832018) has the molecular formula C17H14BrNOS and a molecular weight of 360.28 g/mol. Its IUPAC name is 4-(3-bromophenyl)-2-[(2-methoxyphenyl)methyl]-1,3-thiazole.

Molecular Properties

Compound Name4-(3-bromophenyl)-2-[(2-methoxyphenyl)methyl]-1,3-thiazole
PubChem CID79832018
Molecular FormulaC17H14BrNOS
Molecular Weight360.28 g/mol
Exact Mass359.00
IUPAC Name4-(3-bromophenyl)-2-[(2-methoxyphenyl)methyl]-1,3-thiazole
SMILESCOc1ccccc1Cc1nc(-c2cccc(Br)c2)cs1
InChIInChI=1S/C17H14BrNOS/c1-20-16-8-3-2-5-13(16)10-17-19-15(11-21-17)12-6-4-7-14(18)9-12/h2-9,11H,10H2,1H3
InChIKeyFZNRSDIOHYSING-UHFFFAOYSA-N
XLogP5.17
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.28
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-bromophenyl)-2-[(2-methoxyphenyl)methyl]-1,3-thiazole?
The IUPAC name of 4-(3-bromophenyl)-2-[(2-methoxyphenyl)methyl]-1,3-thiazole (CID 79832018) is 4-(3-bromophenyl)-2-[(2-methoxyphenyl)methyl]-1,3-thiazole.
What is the SMILES notation for 4-(3-bromophenyl)-2-[(2-methoxyphenyl)methyl]-1,3-thiazole?
The canonical SMILES for 4-(3-bromophenyl)-2-[(2-methoxyphenyl)methyl]-1,3-thiazole is COc1ccccc1Cc1nc(-c2cccc(Br)c2)cs1.
What is the InChIKey of 4-(3-bromophenyl)-2-[(2-methoxyphenyl)methyl]-1,3-thiazole?
The InChIKey is FZNRSDIOHYSING-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrNOS/c1-20-16-8-3-2-5-13(16)10-17-19-15(11-21-17)12-6-4-7-14(18)9-12/h2-9,11H,10H2,1H3.
What are the key properties of 4-(3-bromophenyl)-2-[(2-methoxyphenyl)methyl]-1,3-thiazole?
4-(3-bromophenyl)-2-[(2-methoxyphenyl)methyl]-1,3-thiazole has a molecular weight of 360.28 g/mol, XLogP of 5.17, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromophenyl)-2-[(2-methoxyphenyl)methyl]-1,3-thiazole is sourced from PubChem (CID 79832018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).