2-[2-[(2,5-difluorophenyl)methylamino]-1,3-thiazol-4-yl]acetic acid

C12H10F2N2O2S — CID 80576016

IUPAC2-[2-[(2,5-difluorophenyl)methylamino]-1,3-thiazol-4-yl]acetic acid
SMILESO=C(O)Cc1csc(NCc2cc(F)ccc2F)n1
InChIInChI=1S/C12H10F2N2O2S/c13-8-1-2-10(14)7(3-8)5-15-12-16-9(6-19-12)4-11(17)18/h1-3,6H,4-5H2,(H,15,16)(H,17,18)
InChIKeyWWZCMLWBEJVYOI-UHFFFAOYSA-N
MW284.29 g/mol
LogP2.66
Rot. Bonds5

About 2-[2-[(2,5-difluorophenyl)methylamino]-1,3-thiazol-4-yl]acetic acid

2-[2-[(2,5-difluorophenyl)methylamino]-1,3-thiazol-4-yl]acetic acid (PubChem CID 80576016) has the molecular formula C12H10F2N2O2S and a molecular weight of 284.29 g/mol. Its IUPAC name is 2-[2-[(2,5-difluorophenyl)methylamino]-1,3-thiazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[2-[(2,5-difluorophenyl)methylamino]-1,3-thiazol-4-yl]acetic acid
PubChem CID80576016
Molecular FormulaC12H10F2N2O2S
Molecular Weight284.29 g/mol
Exact Mass284.04
IUPAC Name2-[2-[(2,5-difluorophenyl)methylamino]-1,3-thiazol-4-yl]acetic acid
SMILESO=C(O)Cc1csc(NCc2cc(F)ccc2F)n1
InChIInChI=1S/C12H10F2N2O2S/c13-8-1-2-10(14)7(3-8)5-15-12-16-9(6-19-12)4-11(17)18/h1-3,6H,4-5H2,(H,15,16)(H,17,18)
InChIKeyWWZCMLWBEJVYOI-UHFFFAOYSA-N
XLogP2.66
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-[(2,4-difluorophenyl)methylamino]-1,3-thiazol-4-yl]propanoic acid
CID 103487284
2-[2-[(2,4-difluorophenyl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid
CID 43328550
2-[2-[2-(2-fluorophenyl)ethylamino]-1,3-thiazol-4-yl]acetic acid
CID 80575585
2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]acetic acid
CID 1133217
2-[2-[(2-bromophenyl)methylamino]-1,3-thiazol-4-yl]acetic acid
CID 80575894
2-[2-(4-fluoro-2-iodoanilino)-1,3-thiazol-4-yl]acetic acid
CID 80576564
2-[2-[(4-fluoro-2-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid
CID 43344111
N-[(2-bromo-5-fluorophenyl)methyl]-4-ethyl-1,3-thiazol-2-amine
CID 55154443
2-[2-(2,3,5-trifluoroanilino)-1,3-thiazol-4-yl]acetic acid
CID 80576751
2-[2-[(4-methoxyphenyl)methylamino]-1,3-thiazol-4-yl]acetic acid
CID 9148773
2-[2-[(2-hydroxynaphthalen-1-yl)methylamino]-1,3-thiazol-4-yl]acetic acid
CID 9148727
2-[2-(cyclopentylmethylamino)-1,3-thiazol-4-yl]acetic acid
CID 80574969

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2,5-difluorophenyl)methylamino]-1,3-thiazol-4-yl]acetic acid?
The IUPAC name of 2-[2-[(2,5-difluorophenyl)methylamino]-1,3-thiazol-4-yl]acetic acid (CID 80576016) is 2-[2-[(2,5-difluorophenyl)methylamino]-1,3-thiazol-4-yl]acetic acid.
What is the SMILES notation for 2-[2-[(2,5-difluorophenyl)methylamino]-1,3-thiazol-4-yl]acetic acid?
The canonical SMILES for 2-[2-[(2,5-difluorophenyl)methylamino]-1,3-thiazol-4-yl]acetic acid is O=C(O)Cc1csc(NCc2cc(F)ccc2F)n1.
What is the InChIKey of 2-[2-[(2,5-difluorophenyl)methylamino]-1,3-thiazol-4-yl]acetic acid?
The InChIKey is WWZCMLWBEJVYOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F2N2O2S/c13-8-1-2-10(14)7(3-8)5-15-12-16-9(6-19-12)4-11(17)18/h1-3,6H,4-5H2,(H,15,16)(H,17,18).
What are the key properties of 2-[2-[(2,5-difluorophenyl)methylamino]-1,3-thiazol-4-yl]acetic acid?
2-[2-[(2,5-difluorophenyl)methylamino]-1,3-thiazol-4-yl]acetic acid has a molecular weight of 284.29 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2,5-difluorophenyl)methylamino]-1,3-thiazol-4-yl]acetic acid is sourced from PubChem (CID 80576016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).