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

C15H10BrNO3S — CID 103083503

IUPAC5-[2-(4-bromo-2-methylphenyl)-1,3-thiazol-4-yl]furan-3-carboxylic acid
SMILESCc1cc(Br)ccc1-c1nc(-c2cc(C(=O)O)co2)cs1
InChIInChI=1S/C15H10BrNO3S/c1-8-4-10(16)2-3-11(8)14-17-12(7-21-14)13-5-9(6-20-13)15(18)19/h2-7H,1H3,(H,18,19)
InChIKeyULTPUYPRUSZZPX-UHFFFAOYSA-N
MW364.22 g/mol
LogP4.84
Rot. Bonds3

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

5-[2-(4-bromo-2-methylphenyl)-1,3-thiazol-4-yl]furan-3-carboxylic acid (PubChem CID 103083503) has the molecular formula C15H10BrNO3S and a molecular weight of 364.22 g/mol. Its IUPAC name is 5-[2-(4-bromo-2-methylphenyl)-1,3-thiazol-4-yl]furan-3-carboxylic acid.

Molecular Properties

Compound Name5-[2-(4-bromo-2-methylphenyl)-1,3-thiazol-4-yl]furan-3-carboxylic acid
PubChem CID103083503
Molecular FormulaC15H10BrNO3S
Molecular Weight364.22 g/mol
Exact Mass362.96
IUPAC Name5-[2-(4-bromo-2-methylphenyl)-1,3-thiazol-4-yl]furan-3-carboxylic acid
SMILESCc1cc(Br)ccc1-c1nc(-c2cc(C(=O)O)co2)cs1
InChIInChI=1S/C15H10BrNO3S/c1-8-4-10(16)2-3-11(8)14-17-12(7-21-14)13-5-9(6-20-13)15(18)19/h2-7H,1H3,(H,18,19)
InChIKeyULTPUYPRUSZZPX-UHFFFAOYSA-N
XLogP4.84
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.22
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-bromo-2-methylphenyl)-1,3-thiazol-4-yl]furan-3-carboxylic acid?
The IUPAC name of 5-[2-(4-bromo-2-methylphenyl)-1,3-thiazol-4-yl]furan-3-carboxylic acid (CID 103083503) is 5-[2-(4-bromo-2-methylphenyl)-1,3-thiazol-4-yl]furan-3-carboxylic acid.
What is the SMILES notation for 5-[2-(4-bromo-2-methylphenyl)-1,3-thiazol-4-yl]furan-3-carboxylic acid?
The canonical SMILES for 5-[2-(4-bromo-2-methylphenyl)-1,3-thiazol-4-yl]furan-3-carboxylic acid is Cc1cc(Br)ccc1-c1nc(-c2cc(C(=O)O)co2)cs1.
What is the InChIKey of 5-[2-(4-bromo-2-methylphenyl)-1,3-thiazol-4-yl]furan-3-carboxylic acid?
The InChIKey is ULTPUYPRUSZZPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrNO3S/c1-8-4-10(16)2-3-11(8)14-17-12(7-21-14)13-5-9(6-20-13)15(18)19/h2-7H,1H3,(H,18,19).
What are the key properties of 5-[2-(4-bromo-2-methylphenyl)-1,3-thiazol-4-yl]furan-3-carboxylic acid?
5-[2-(4-bromo-2-methylphenyl)-1,3-thiazol-4-yl]furan-3-carboxylic acid has a molecular weight of 364.22 g/mol, XLogP of 4.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-bromo-2-methylphenyl)-1,3-thiazol-4-yl]furan-3-carboxylic acid is sourced from PubChem (CID 103083503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).