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

C13H7Br2NOS — CID 113437726

IUPAC4-(5-bromofuran-2-yl)-2-(4-bromophenyl)-1,3-thiazole
SMILESBrc1ccc(-c2nc(-c3ccc(Br)o3)cs2)cc1
InChIInChI=1S/C13H7Br2NOS/c14-9-3-1-8(2-4-9)13-16-10(7-18-13)11-5-6-12(15)17-11/h1-7H
InChIKeyYPRVIFOHGSUZMT-UHFFFAOYSA-N
MW385.08 g/mol
LogP5.60
Rot. Bonds2

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

4-(5-bromofuran-2-yl)-2-(4-bromophenyl)-1,3-thiazole (PubChem CID 113437726) has the molecular formula C13H7Br2NOS and a molecular weight of 385.08 g/mol. Its IUPAC name is 4-(5-bromofuran-2-yl)-2-(4-bromophenyl)-1,3-thiazole.

Molecular Properties

Compound Name4-(5-bromofuran-2-yl)-2-(4-bromophenyl)-1,3-thiazole
PubChem CID113437726
Molecular FormulaC13H7Br2NOS
Molecular Weight385.08 g/mol
Exact Mass382.86
IUPAC Name4-(5-bromofuran-2-yl)-2-(4-bromophenyl)-1,3-thiazole
SMILESBrc1ccc(-c2nc(-c3ccc(Br)o3)cs2)cc1
InChIInChI=1S/C13H7Br2NOS/c14-9-3-1-8(2-4-9)13-16-10(7-18-13)11-5-6-12(15)17-11/h1-7H
InChIKeyYPRVIFOHGSUZMT-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-[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
4-(5-bromofuran-2-yl)-2-(2-bromophenyl)-1,3-thiazole
CID 104654186
2-[2-(4-bromophenyl)-1,3-thiazol-4-yl]aniline
CID 61269008
4-(3-bromophenyl)-2-(4-bromophenyl)-1,3-thiazole
CID 78907524
5-[2-(4-bromophenyl)-1,3-thiazol-4-yl]furan-3-carboxylic acid
CID 63355591
[4-[4-(4-bromophenyl)-1,3-thiazol-2-yl]phenyl]-pentafluoro-λ6-sulfane
CID 102334757
4-(4-bromophenyl)-2-(4-propan-2-ylphenyl)-1,3-thiazole
CID 78907531
2-(4-bromophenyl)-4-(4-methylsulfanylphenyl)-1,3-thiazole
CID 78907479
4-(4-bromophenyl)-2-(3,4-difluorophenyl)-1,3-thiazole
CID 79839828
2-(4-bromophenyl)-4-methyl-1,3-thiazole;ethane
CID 145337663
N-(4-bromophenyl)-4-[5-(4-bromophenyl)furan-2-yl]-1,3-thiazol-2-amine
CID 4683115

Frequently Asked Questions

What is the IUPAC name of 4-(5-bromofuran-2-yl)-2-(4-bromophenyl)-1,3-thiazole?
The IUPAC name of 4-(5-bromofuran-2-yl)-2-(4-bromophenyl)-1,3-thiazole (CID 113437726) is 4-(5-bromofuran-2-yl)-2-(4-bromophenyl)-1,3-thiazole.
What is the SMILES notation for 4-(5-bromofuran-2-yl)-2-(4-bromophenyl)-1,3-thiazole?
The canonical SMILES for 4-(5-bromofuran-2-yl)-2-(4-bromophenyl)-1,3-thiazole is Brc1ccc(-c2nc(-c3ccc(Br)o3)cs2)cc1.
What is the InChIKey of 4-(5-bromofuran-2-yl)-2-(4-bromophenyl)-1,3-thiazole?
The InChIKey is YPRVIFOHGSUZMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Br2NOS/c14-9-3-1-8(2-4-9)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-(4-bromophenyl)-1,3-thiazole?
4-(5-bromofuran-2-yl)-2-(4-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-(4-bromophenyl)-1,3-thiazole is sourced from PubChem (CID 113437726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).