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

C10H9FN2O3S — CID 53380109

IUPAC(4R)-2-(4-fluoro-2-hydroxyanilino)-4,5-dihydro-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)[C@@H]1CSC(Nc2ccc(F)cc2O)=N1
InChIInChI=1S/C10H9FN2O3S/c11-5-1-2-6(8(14)3-5)12-10-13-7(4-17-10)9(15)16/h1-3,7,14H,4H2,(H,12,13)(H,15,16)/t7-/m0/s1
InChIKeyVWQOZLLRXBPAIE-ZETCQYMHSA-N
MW256.26 g/mol
LogP1.50
Rot. Bonds2

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

(4R)-2-(4-fluoro-2-hydroxyanilino)-4,5-dihydro-1,3-thiazole-4-carboxylic acid (PubChem CID 53380109) has the molecular formula C10H9FN2O3S and a molecular weight of 256.26 g/mol. Its IUPAC name is (4R)-2-(4-fluoro-2-hydroxyanilino)-4,5-dihydro-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name(4R)-2-(4-fluoro-2-hydroxyanilino)-4,5-dihydro-1,3-thiazole-4-carboxylic acid
PubChem CID53380109
Molecular FormulaC10H9FN2O3S
Molecular Weight256.26 g/mol
Exact Mass256.03
IUPAC Name(4R)-2-(4-fluoro-2-hydroxyanilino)-4,5-dihydro-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)[C@@H]1CSC(Nc2ccc(F)cc2O)=N1
InChIInChI=1S/C10H9FN2O3S/c11-5-1-2-6(8(14)3-5)12-10-13-7(4-17-10)9(15)16/h1-3,7,14H,4H2,(H,12,13)(H,15,16)/t7-/m0/s1
InChIKeyVWQOZLLRXBPAIE-ZETCQYMHSA-N
XLogP1.50
TPSA81.92 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

2-(5-fluoro-2-methylphenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid
CID 171374375
2-(2,5-difluorophenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid
CID 171374367
(4R)-2-(2-fluoro-6-hydroxyphenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid
CID 169211856
(4S)-N-(4-fluoro-2-methylphenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 79246372
N-(2-bromo-4-fluorophenyl)-4-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 43440061
N-(4-fluoro-2-iodophenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 107858039
(3R)-8-(4-fluoroanilino)-6,6-dimethyl-2,3,5,7-tetrahydro-1,4-benzothiazine-3-carboxylic acid
CID 154464971
5-fluoro-2-[(2-methylthiophen-3-yl)amino]phenol
CID 141309505
N-(2-bromo-4-fluorophenyl)-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine
CID 106362823
N-(4-bromophenyl)-2-(2-fluoroanilino)-4,5-dihydro-1,3-thiazole-4-carboxamide
CID 71169205
(3S)-5-(4-fluorophenyl)-3,6-dihydro-2H-1,4-thiazine-3-carboxylic acid
CID 40800645
N-(4-fluoro-2-methoxyphenyl)-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 83187825

Frequently Asked Questions

What is the IUPAC name of (4R)-2-(4-fluoro-2-hydroxyanilino)-4,5-dihydro-1,3-thiazole-4-carboxylic acid?
The IUPAC name of (4R)-2-(4-fluoro-2-hydroxyanilino)-4,5-dihydro-1,3-thiazole-4-carboxylic acid (CID 53380109) is (4R)-2-(4-fluoro-2-hydroxyanilino)-4,5-dihydro-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for (4R)-2-(4-fluoro-2-hydroxyanilino)-4,5-dihydro-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for (4R)-2-(4-fluoro-2-hydroxyanilino)-4,5-dihydro-1,3-thiazole-4-carboxylic acid is O=C(O)[C@@H]1CSC(Nc2ccc(F)cc2O)=N1.
What is the InChIKey of (4R)-2-(4-fluoro-2-hydroxyanilino)-4,5-dihydro-1,3-thiazole-4-carboxylic acid?
The InChIKey is VWQOZLLRXBPAIE-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H9FN2O3S/c11-5-1-2-6(8(14)3-5)12-10-13-7(4-17-10)9(15)16/h1-3,7,14H,4H2,(H,12,13)(H,15,16)/t7-/m0/s1.
What are the key properties of (4R)-2-(4-fluoro-2-hydroxyanilino)-4,5-dihydro-1,3-thiazole-4-carboxylic acid?
(4R)-2-(4-fluoro-2-hydroxyanilino)-4,5-dihydro-1,3-thiazole-4-carboxylic acid has a molecular weight of 256.26 g/mol, XLogP of 1.50, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-(4-fluoro-2-hydroxyanilino)-4,5-dihydro-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 53380109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).