2-[2-(4-fluoro-2-iodoanilino)-1,3-thiazol-4-yl]acetic acid

C11H8FIN2O2S — CID 80576564

IUPAC2-[2-(4-fluoro-2-iodoanilino)-1,3-thiazol-4-yl]acetic acid
SMILESO=C(O)Cc1csc(Nc2ccc(F)cc2I)n1
InChIInChI=1S/C11H8FIN2O2S/c12-6-1-2-9(8(13)3-6)15-11-14-7(5-18-11)4-10(16)17/h1-3,5H,4H2,(H,14,15)(H,16,17)
InChIKeyQKVNCTYNOSJCLM-UHFFFAOYSA-N
MW378.17 g/mol
LogP3.26
Rot. Bonds4

About 2-[2-(4-fluoro-2-iodoanilino)-1,3-thiazol-4-yl]acetic acid

2-[2-(4-fluoro-2-iodoanilino)-1,3-thiazol-4-yl]acetic acid (PubChem CID 80576564) has the molecular formula C11H8FIN2O2S and a molecular weight of 378.17 g/mol. Its IUPAC name is 2-[2-(4-fluoro-2-iodoanilino)-1,3-thiazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(4-fluoro-2-iodoanilino)-1,3-thiazol-4-yl]acetic acid
PubChem CID80576564
Molecular FormulaC11H8FIN2O2S
Molecular Weight378.17 g/mol
Exact Mass377.93
IUPAC Name2-[2-(4-fluoro-2-iodoanilino)-1,3-thiazol-4-yl]acetic acid
SMILESO=C(O)Cc1csc(Nc2ccc(F)cc2I)n1
InChIInChI=1S/C11H8FIN2O2S/c12-6-1-2-9(8(13)3-6)15-11-14-7(5-18-11)4-10(16)17/h1-3,5H,4H2,(H,14,15)(H,16,17)
InChIKeyQKVNCTYNOSJCLM-UHFFFAOYSA-N
XLogP3.26
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.17
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]acetic acid
CID 1133217
2-[2-(2,3,5-trifluoroanilino)-1,3-thiazol-4-yl]acetic acid
CID 80576751
4-chloro-N-(4-fluoro-2-iodophenyl)-1,3-thiazol-2-amine
CID 83155997
2-[2-[(2,5-difluorophenyl)methylamino]-1,3-thiazol-4-yl]acetic acid
CID 80576016
2-[2-(4-bromo-2-chloroanilino)-1,3-thiazol-4-yl]acetic acid
CID 80575425
2-[2-(2,5-dichloroanilino)-1,3-thiazol-4-yl]acetic acid
CID 75176643
2-[2-[(2,4-difluorophenyl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid
CID 43328550
2-[2-[2-chloro-5-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]acetic acid
CID 80574105
2-[2-[(4-fluoro-2-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid
CID 43344111
2-[2-[(2-methyl-3-pyridinyl)amino]-1,3-thiazol-4-yl]acetic acid
CID 80576595
methyl 3-[2-(2,4-difluoroanilino)-1,3-thiazol-4-yl]propanoate
CID 107039927
2-[2-(4-phenylanilino)-1,3-thiazol-4-yl]acetic acid
CID 58795522

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluoro-2-iodoanilino)-1,3-thiazol-4-yl]acetic acid?
The IUPAC name of 2-[2-(4-fluoro-2-iodoanilino)-1,3-thiazol-4-yl]acetic acid (CID 80576564) is 2-[2-(4-fluoro-2-iodoanilino)-1,3-thiazol-4-yl]acetic acid.
What is the SMILES notation for 2-[2-(4-fluoro-2-iodoanilino)-1,3-thiazol-4-yl]acetic acid?
The canonical SMILES for 2-[2-(4-fluoro-2-iodoanilino)-1,3-thiazol-4-yl]acetic acid is O=C(O)Cc1csc(Nc2ccc(F)cc2I)n1.
What is the InChIKey of 2-[2-(4-fluoro-2-iodoanilino)-1,3-thiazol-4-yl]acetic acid?
The InChIKey is QKVNCTYNOSJCLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FIN2O2S/c12-6-1-2-9(8(13)3-6)15-11-14-7(5-18-11)4-10(16)17/h1-3,5H,4H2,(H,14,15)(H,16,17).
What are the key properties of 2-[2-(4-fluoro-2-iodoanilino)-1,3-thiazol-4-yl]acetic acid?
2-[2-(4-fluoro-2-iodoanilino)-1,3-thiazol-4-yl]acetic acid has a molecular weight of 378.17 g/mol, XLogP of 3.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluoro-2-iodoanilino)-1,3-thiazol-4-yl]acetic acid is sourced from PubChem (CID 80576564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).