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

C15H10BrNO3S — CID 63356069

IUPAC5-[2-[(3-bromophenyl)methyl]-1,3-thiazol-4-yl]furan-3-carboxylic acid
SMILESO=C(O)c1coc(-c2csc(Cc3cccc(Br)c3)n2)c1
InChIInChI=1S/C15H10BrNO3S/c16-11-3-1-2-9(4-11)5-14-17-12(8-21-14)13-6-10(7-20-13)15(18)19/h1-4,6-8H,5H2,(H,18,19)
InChIKeyGVJTZKMDDYYPRX-UHFFFAOYSA-N
MW364.22 g/mol
LogP4.45
Rot. Bonds4

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

5-[2-[(3-bromophenyl)methyl]-1,3-thiazol-4-yl]furan-3-carboxylic acid (PubChem CID 63356069) has the molecular formula C15H10BrNO3S and a molecular weight of 364.22 g/mol. Its IUPAC name is 5-[2-[(3-bromophenyl)methyl]-1,3-thiazol-4-yl]furan-3-carboxylic acid.

Molecular Properties

Compound Name5-[2-[(3-bromophenyl)methyl]-1,3-thiazol-4-yl]furan-3-carboxylic acid
PubChem CID63356069
Molecular FormulaC15H10BrNO3S
Molecular Weight364.22 g/mol
Exact Mass362.96
IUPAC Name5-[2-[(3-bromophenyl)methyl]-1,3-thiazol-4-yl]furan-3-carboxylic acid
SMILESO=C(O)c1coc(-c2csc(Cc3cccc(Br)c3)n2)c1
InChIInChI=1S/C15H10BrNO3S/c16-11-3-1-2-9(4-11)5-14-17-12(8-21-14)13-6-10(7-20-13)15(18)19/h1-4,6-8H,5H2,(H,18,19)
InChIKeyGVJTZKMDDYYPRX-UHFFFAOYSA-N
XLogP4.45
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.22
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[(3-bromophenyl)methyl]-1,3-thiazol-4-yl]furan-3-carboxylic acid?
The IUPAC name of 5-[2-[(3-bromophenyl)methyl]-1,3-thiazol-4-yl]furan-3-carboxylic acid (CID 63356069) is 5-[2-[(3-bromophenyl)methyl]-1,3-thiazol-4-yl]furan-3-carboxylic acid.
What is the SMILES notation for 5-[2-[(3-bromophenyl)methyl]-1,3-thiazol-4-yl]furan-3-carboxylic acid?
The canonical SMILES for 5-[2-[(3-bromophenyl)methyl]-1,3-thiazol-4-yl]furan-3-carboxylic acid is O=C(O)c1coc(-c2csc(Cc3cccc(Br)c3)n2)c1.
What is the InChIKey of 5-[2-[(3-bromophenyl)methyl]-1,3-thiazol-4-yl]furan-3-carboxylic acid?
The InChIKey is GVJTZKMDDYYPRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrNO3S/c16-11-3-1-2-9(4-11)5-14-17-12(8-21-14)13-6-10(7-20-13)15(18)19/h1-4,6-8H,5H2,(H,18,19).
What are the key properties of 5-[2-[(3-bromophenyl)methyl]-1,3-thiazol-4-yl]furan-3-carboxylic acid?
5-[2-[(3-bromophenyl)methyl]-1,3-thiazol-4-yl]furan-3-carboxylic acid has a molecular weight of 364.22 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(3-bromophenyl)methyl]-1,3-thiazol-4-yl]furan-3-carboxylic acid is sourced from PubChem (CID 63356069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).