4-(5-bromofuran-2-yl)-2-(2-bromophenyl)-1,3-thiazole

C13H7Br2NOS — CID 104654186

IUPAC4-(5-bromofuran-2-yl)-2-(2-bromophenyl)-1,3-thiazole
SMILESBrc1ccc(-c2csc(-c3ccccc3Br)n2)o1
InChIInChI=1S/C13H7Br2NOS/c14-9-4-2-1-3-8(9)13-16-10(7-18-13)11-5-6-12(15)17-11/h1-7H
InChIKeyNZJWRLIZYPSNJV-UHFFFAOYSA-N
MW385.08 g/mol
LogP5.60
Rot. Bonds2

About 4-(5-bromofuran-2-yl)-2-(2-bromophenyl)-1,3-thiazole

4-(5-bromofuran-2-yl)-2-(2-bromophenyl)-1,3-thiazole (PubChem CID 104654186) has the molecular formula C13H7Br2NOS and a molecular weight of 385.08 g/mol. Its IUPAC name is 4-(5-bromofuran-2-yl)-2-(2-bromophenyl)-1,3-thiazole.

Molecular Properties

Compound Name4-(5-bromofuran-2-yl)-2-(2-bromophenyl)-1,3-thiazole
PubChem CID104654186
Molecular FormulaC13H7Br2NOS
Molecular Weight385.08 g/mol
Exact Mass382.86
IUPAC Name4-(5-bromofuran-2-yl)-2-(2-bromophenyl)-1,3-thiazole
SMILESBrc1ccc(-c2csc(-c3ccccc3Br)n2)o1
InChIInChI=1S/C13H7Br2NOS/c14-9-4-2-1-3-8(9)13-16-10(7-18-13)11-5-6-12(15)17-11/h1-7H
InChIKeyNZJWRLIZYPSNJV-UHFFFAOYSA-N
XLogP5.60
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.08
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(5-bromofuran-2-yl)-2-(4-bromophenyl)-1,3-thiazole
CID 113437726
4-[4-(5-bromofuran-2-yl)-1,3-thiazol-2-yl]phenol
CID 136907983
4-[4-(5-bromofuran-2-yl)-1,3-thiazol-2-yl]benzoic acid
CID 104653593
2-(2-bromophenyl)-4-methyl-1,3-thiazole
CID 54593856
2-(2-bromophenyl)-4-(2-methoxyphenyl)-1,3-thiazole
CID 79831089
2-(2-bromophenyl)-4-(5-chlorothiophen-2-yl)-1,3-thiazole
CID 79832539
4-(2-bromophenyl)-2-(trifluoromethyl)-1,3-thiazole
CID 112700792
2-(2-bromophenyl)-4-(5-chlorothiophen-3-yl)-1,3-thiazole
CID 114083072
2-(2-bromophenyl)-4-(3,4-dimethylphenyl)-1,3-thiazole
CID 79832425
4-(2-bromophenyl)-2-(4-bromothiophen-2-yl)-1,3-thiazole
CID 79831158
2-(2-bromophenyl)-1,3-thiazole-4-carboxamide
CID 116892022
2-(5-bromofuran-2-yl)-1,3-thiazole-4-carbaldehyde
CID 60998358

Frequently Asked Questions

What is the IUPAC name of 4-(5-bromofuran-2-yl)-2-(2-bromophenyl)-1,3-thiazole?
The IUPAC name of 4-(5-bromofuran-2-yl)-2-(2-bromophenyl)-1,3-thiazole (CID 104654186) is 4-(5-bromofuran-2-yl)-2-(2-bromophenyl)-1,3-thiazole.
What is the SMILES notation for 4-(5-bromofuran-2-yl)-2-(2-bromophenyl)-1,3-thiazole?
The canonical SMILES for 4-(5-bromofuran-2-yl)-2-(2-bromophenyl)-1,3-thiazole is Brc1ccc(-c2csc(-c3ccccc3Br)n2)o1.
What is the InChIKey of 4-(5-bromofuran-2-yl)-2-(2-bromophenyl)-1,3-thiazole?
The InChIKey is NZJWRLIZYPSNJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Br2NOS/c14-9-4-2-1-3-8(9)13-16-10(7-18-13)11-5-6-12(15)17-11/h1-7H.
What are the key properties of 4-(5-bromofuran-2-yl)-2-(2-bromophenyl)-1,3-thiazole?
4-(5-bromofuran-2-yl)-2-(2-bromophenyl)-1,3-thiazole has a molecular weight of 385.08 g/mol, XLogP of 5.60, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromofuran-2-yl)-2-(2-bromophenyl)-1,3-thiazole is sourced from PubChem (CID 104654186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).