2-(2-bromo-5-hydroxyphenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid

C10H8BrNO3S — CID 171374439

IUPAC2-(2-bromo-5-hydroxyphenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)C1CSC(c2cc(O)ccc2Br)=N1
InChIInChI=1S/C10H8BrNO3S/c11-7-2-1-5(13)3-6(7)9-12-8(4-16-9)10(14)15/h1-3,8,13H,4H2,(H,14,15)
InChIKeyHOBBWWDRCCEJPF-UHFFFAOYSA-N
MW302.15 g/mol
LogP2.10
Rot. Bonds2

About 2-(2-bromo-5-hydroxyphenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid

2-(2-bromo-5-hydroxyphenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid (PubChem CID 171374439) has the molecular formula C10H8BrNO3S and a molecular weight of 302.15 g/mol. Its IUPAC name is 2-(2-bromo-5-hydroxyphenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(2-bromo-5-hydroxyphenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid
PubChem CID171374439
Molecular FormulaC10H8BrNO3S
Molecular Weight302.15 g/mol
Exact Mass300.94
IUPAC Name2-(2-bromo-5-hydroxyphenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)C1CSC(c2cc(O)ccc2Br)=N1
InChIInChI=1S/C10H8BrNO3S/c11-7-2-1-5(13)3-6(7)9-12-8(4-16-9)10(14)15/h1-3,8,13H,4H2,(H,14,15)
InChIKeyHOBBWWDRCCEJPF-UHFFFAOYSA-N
XLogP2.10
TPSA69.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.15
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-5-hydroxyphenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-(2-bromo-5-hydroxyphenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid (CID 171374439) is 2-(2-bromo-5-hydroxyphenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-(2-bromo-5-hydroxyphenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-(2-bromo-5-hydroxyphenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid is O=C(O)C1CSC(c2cc(O)ccc2Br)=N1.
What is the InChIKey of 2-(2-bromo-5-hydroxyphenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid?
The InChIKey is HOBBWWDRCCEJPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrNO3S/c11-7-2-1-5(13)3-6(7)9-12-8(4-16-9)10(14)15/h1-3,8,13H,4H2,(H,14,15).
What are the key properties of 2-(2-bromo-5-hydroxyphenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid?
2-(2-bromo-5-hydroxyphenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid has a molecular weight of 302.15 g/mol, XLogP of 2.10, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-5-hydroxyphenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 171374439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).