5-[2-(4-bromophenyl)-1,3-thiazol-4-yl]furan-3-carboxylic acid

C14H8BrNO3S — CID 63355591

IUPAC5-[2-(4-bromophenyl)-1,3-thiazol-4-yl]furan-3-carboxylic acid
SMILESO=C(O)c1coc(-c2csc(-c3ccc(Br)cc3)n2)c1
InChIInChI=1S/C14H8BrNO3S/c15-10-3-1-8(2-4-10)13-16-11(7-20-13)12-5-9(6-19-12)14(17)18/h1-7H,(H,17,18)
InChIKeyHSXPBZWZHMITEV-UHFFFAOYSA-N
MW350.19 g/mol
LogP4.53
Rot. Bonds3

About 5-[2-(4-bromophenyl)-1,3-thiazol-4-yl]furan-3-carboxylic acid

5-[2-(4-bromophenyl)-1,3-thiazol-4-yl]furan-3-carboxylic acid (PubChem CID 63355591) has the molecular formula C14H8BrNO3S and a molecular weight of 350.19 g/mol. Its IUPAC name is 5-[2-(4-bromophenyl)-1,3-thiazol-4-yl]furan-3-carboxylic acid.

Molecular Properties

Compound Name5-[2-(4-bromophenyl)-1,3-thiazol-4-yl]furan-3-carboxylic acid
PubChem CID63355591
Molecular FormulaC14H8BrNO3S
Molecular Weight350.19 g/mol
Exact Mass348.94
IUPAC Name5-[2-(4-bromophenyl)-1,3-thiazol-4-yl]furan-3-carboxylic acid
SMILESO=C(O)c1coc(-c2csc(-c3ccc(Br)cc3)n2)c1
InChIInChI=1S/C14H8BrNO3S/c15-10-3-1-8(2-4-10)13-16-11(7-20-13)12-5-9(6-19-12)14(17)18/h1-7H,(H,17,18)
InChIKeyHSXPBZWZHMITEV-UHFFFAOYSA-N
XLogP4.53
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.19
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[2-(4-methylphenyl)-1,3-thiazol-4-yl]furan-3-carboxylic acid
CID 63356063
5-[2-(4-bromo-2-methylphenyl)-1,3-thiazol-4-yl]furan-3-carboxylic acid
CID 103083503
5-[2-(5-bromothiophen-2-yl)-1,3-thiazol-4-yl]furan-3-carboxylic acid
CID 63356153
5-[2-(3-chloro-4-methylphenyl)-1,3-thiazol-4-yl]furan-3-carboxylic acid
CID 106817927
5-[2-(3-hydroxyphenyl)-1,3-thiazol-4-yl]furan-3-carboxylic acid
CID 63355680
5-(2-pyridin-3-yl-1,3-thiazol-4-yl)furan-3-carboxylic acid
CID 63355636
5-[2-(2-bromo-5-chlorophenyl)-1,3-thiazol-4-yl]furan-3-carboxylic acid
CID 66161251
4-[4-(5-bromofuran-2-yl)-1,3-thiazol-2-yl]benzoic acid
CID 104653593
5-[2-(5-ethylfuran-2-yl)-1,3-thiazol-4-yl]furan-3-carboxylic acid
CID 63355768
5-[2-[(3-bromophenyl)methyl]-1,3-thiazol-4-yl]furan-3-carboxylic acid
CID 63356069
5-[2-(2-fluoro-5-methylphenyl)-1,3-thiazol-4-yl]furan-3-carboxylic acid
CID 107931341
5-[2-(3-chloro-2-pyridinyl)-1,3-thiazol-4-yl]furan-3-carboxylic acid
CID 103442924

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-bromophenyl)-1,3-thiazol-4-yl]furan-3-carboxylic acid?
The IUPAC name of 5-[2-(4-bromophenyl)-1,3-thiazol-4-yl]furan-3-carboxylic acid (CID 63355591) is 5-[2-(4-bromophenyl)-1,3-thiazol-4-yl]furan-3-carboxylic acid.
What is the SMILES notation for 5-[2-(4-bromophenyl)-1,3-thiazol-4-yl]furan-3-carboxylic acid?
The canonical SMILES for 5-[2-(4-bromophenyl)-1,3-thiazol-4-yl]furan-3-carboxylic acid is O=C(O)c1coc(-c2csc(-c3ccc(Br)cc3)n2)c1.
What is the InChIKey of 5-[2-(4-bromophenyl)-1,3-thiazol-4-yl]furan-3-carboxylic acid?
The InChIKey is HSXPBZWZHMITEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrNO3S/c15-10-3-1-8(2-4-10)13-16-11(7-20-13)12-5-9(6-19-12)14(17)18/h1-7H,(H,17,18).
What are the key properties of 5-[2-(4-bromophenyl)-1,3-thiazol-4-yl]furan-3-carboxylic acid?
5-[2-(4-bromophenyl)-1,3-thiazol-4-yl]furan-3-carboxylic acid has a molecular weight of 350.19 g/mol, XLogP of 4.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-bromophenyl)-1,3-thiazol-4-yl]furan-3-carboxylic acid is sourced from PubChem (CID 63355591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).