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

C10H8BrNO2S — CID 25257916

IUPAC(4R)-2-(4-bromophenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)[C@@H]1CSC(c2ccc(Br)cc2)=N1
InChIInChI=1S/C10H8BrNO2S/c11-7-3-1-6(2-4-7)9-12-8(5-15-9)10(13)14/h1-4,8H,5H2,(H,13,14)/t8-/m0/s1
InChIKeyRUCDATZMZMRLAS-QMMMGPOBSA-N
MW286.15 g/mol
LogP2.40
Rot. Bonds2

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

(4R)-2-(4-bromophenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid (PubChem CID 25257916) has the molecular formula C10H8BrNO2S and a molecular weight of 286.15 g/mol. Its IUPAC name is (4R)-2-(4-bromophenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name(4R)-2-(4-bromophenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid
PubChem CID25257916
Molecular FormulaC10H8BrNO2S
Molecular Weight286.15 g/mol
Exact Mass284.95
IUPAC Name(4R)-2-(4-bromophenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)[C@@H]1CSC(c2ccc(Br)cc2)=N1
InChIInChI=1S/C10H8BrNO2S/c11-7-3-1-6(2-4-7)9-12-8(5-15-9)10(13)14/h1-4,8H,5H2,(H,13,14)/t8-/m0/s1
InChIKeyRUCDATZMZMRLAS-QMMMGPOBSA-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

(4R)-2-(4-methylphenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid
CID 25259748
2-(5-bromo-2-hydroxyphenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid
CID 171374414
2-(4-bromo-2-methylphenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid
CID 171374382
2-(4-bromo-3-methoxyphenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid
CID 171374429
(4S)-2-pyridin-3-yl-4,5-dihydro-1,3-thiazole-4-carboxylic acid
CID 7032537
2-[4-hydroxy-3-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid
CID 171374404
2-(2-bromo-5-hydroxyphenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid
CID 171374439
2-(2-bromo-5-chlorophenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid
CID 171374415
(4R)-2-(1-hydroxy-3-oxoinden-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid
CID 135958671
(4R)-2-(2-fluoro-6-hydroxyphenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid
CID 169211856
(4S)-2-(1,3-benzothiazol-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid
CID 58797784
2-(4-bromophenyl)-4,5-dihydro-1,3-thiazole
CID 3024539

Frequently Asked Questions

What is the IUPAC name of (4R)-2-(4-bromophenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid?
The IUPAC name of (4R)-2-(4-bromophenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid (CID 25257916) is (4R)-2-(4-bromophenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for (4R)-2-(4-bromophenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for (4R)-2-(4-bromophenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid is O=C(O)[C@@H]1CSC(c2ccc(Br)cc2)=N1.
What is the InChIKey of (4R)-2-(4-bromophenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid?
The InChIKey is RUCDATZMZMRLAS-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H8BrNO2S/c11-7-3-1-6(2-4-7)9-12-8(5-15-9)10(13)14/h1-4,8H,5H2,(H,13,14)/t8-/m0/s1.
What are the key properties of (4R)-2-(4-bromophenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid?
(4R)-2-(4-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 (4R)-2-(4-bromophenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 25257916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).