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

C10H8BrNO2S — CID 84813494

IUPAC2-(2-bromophenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)C1CSC(c2ccccc2Br)=N1
InChIInChI=1S/C10H8BrNO2S/c11-7-4-2-1-3-6(7)9-12-8(5-15-9)10(13)14/h1-4,8H,5H2,(H,13,14)
InChIKeyXCVVXUHWHJHNQW-UHFFFAOYSA-N
MW286.15 g/mol
LogP2.40
Rot. Bonds2

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

2-(2-bromophenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid (PubChem CID 84813494) has the molecular formula C10H8BrNO2S and a molecular weight of 286.15 g/mol. Its IUPAC name is 2-(2-bromophenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(2-bromophenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid
PubChem CID84813494
Molecular FormulaC10H8BrNO2S
Molecular Weight286.15 g/mol
Exact Mass284.95
IUPAC Name2-(2-bromophenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)C1CSC(c2ccccc2Br)=N1
InChIInChI=1S/C10H8BrNO2S/c11-7-4-2-1-3-6(7)9-12-8(5-15-9)10(13)14/h1-4,8H,5H2,(H,13,14)
InChIKeyXCVVXUHWHJHNQW-UHFFFAOYSA-N
XLogP2.40
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.15
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-Bromobenzylthio)-2-aminobutanoic acid
CID 44408327
(4R)-2-phenyl-4,5-dihydro-1,3-thiazole-4-carboxylic acid
CID 7410566
2-Phenyl-4,5-dihydro-1,3-thiazole-4-carboxylic acid
CID 88327
(4S)-2-Phenyl-4,5-dihydro-thiazole-4-carboxylic acid
CID 7410568
2-Phenylmethyl-4,5-dihydrothiazole-4-carboxylic acid
CID 25246418
(4R)-2-(4-bromophenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid
CID 25257916
2-(4-Fluorophenyl)-4,5-dihydrothiazole-4-carboxylic Acid
CID 69463030
2-(3-Fluorophenyl)-4,5-dihydrothiazole-4-carboxylic Acid
CID 69465341
2-Amino-3-[(2-bromo-4-fluorophenyl)methylsulfanyl]propanoic acid
CID 24692519
(4R)-2-(2-fluorophenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid
CID 25257912
(4R)-2-(4-fluorophenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid
CID 25257913
(4R)-2-(3-fluorophenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid
CID 25259060

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-(2-bromophenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid (CID 84813494) is 2-(2-bromophenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-(2-bromophenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-(2-bromophenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid is O=C(O)C1CSC(c2ccccc2Br)=N1.
What is the InChIKey of 2-(2-bromophenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid?
The InChIKey is XCVVXUHWHJHNQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrNO2S/c11-7-4-2-1-3-6(7)9-12-8(5-15-9)10(13)14/h1-4,8H,5H2,(H,13,14).
What are the key properties of 2-(2-bromophenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid?
2-(2-bromophenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid has a molecular weight of 286.15 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 84813494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).