2-[2-[(2,5-dichlorophenoxy)methyl]-1,3-thiazol-4-yl]acetic acid

C12H9Cl2NO3S — CID 4980659

IUPAC2-[2-[(2,5-dichlorophenoxy)methyl]-1,3-thiazol-4-yl]acetic acid
SMILESO=C(O)Cc1csc(COc2cc(Cl)ccc2Cl)n1
InChIInChI=1S/C12H9Cl2NO3S/c13-7-1-2-9(14)10(3-7)18-5-11-15-8(6-19-11)4-12(16)17/h1-3,6H,4-5H2,(H,16,17)
InChIKeyYXNKFHCFYIMZMU-UHFFFAOYSA-N
MW318.18 g/mol
LogP3.66
Rot. Bonds5

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

2-[2-[(2,5-dichlorophenoxy)methyl]-1,3-thiazol-4-yl]acetic acid (PubChem CID 4980659) has the molecular formula C12H9Cl2NO3S and a molecular weight of 318.18 g/mol. Its IUPAC name is 2-[2-[(2,5-dichlorophenoxy)methyl]-1,3-thiazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[2-[(2,5-dichlorophenoxy)methyl]-1,3-thiazol-4-yl]acetic acid
PubChem CID4980659
Molecular FormulaC12H9Cl2NO3S
Molecular Weight318.18 g/mol
Exact Mass316.97
IUPAC Name2-[2-[(2,5-dichlorophenoxy)methyl]-1,3-thiazol-4-yl]acetic acid
SMILESO=C(O)Cc1csc(COc2cc(Cl)ccc2Cl)n1
InChIInChI=1S/C12H9Cl2NO3S/c13-7-1-2-9(14)10(3-7)18-5-11-15-8(6-19-11)4-12(16)17/h1-3,6H,4-5H2,(H,16,17)
InChIKeyYXNKFHCFYIMZMU-UHFFFAOYSA-N
XLogP3.66
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.18
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-[(2,5-dichlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]propan-2-amine
CID 46013153
N-[[2-[(2,5-dichlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-2-methoxyethanamine
CID 24714242
2-[4-[(2,5-dichlorophenoxy)methyl]phenyl]acetic acid
CID 22684497
N-[[2-[(2,5-dichlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-4-fluoro-N-propan-2-ylbenzamide
CID 46013201
2-[2-(naphthalen-2-yloxymethyl)-1,3-thiazol-4-yl]acetic acid
CID 46741059
N-[[2-[(2,5-dichlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-4-methoxy-N-(2-methoxyethyl)benzamide
CID 46013156
N-[[2-[(2,5-dichlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-propan-2-ylfuran-2-carboxamide
CID 46013202
N-[[2-[(2,5-dichlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-piperidin-1-ylethyl)acetamide
CID 46013165
2-[(2,5-dichlorophenoxy)methyl]-N-[(1S)-1-phenylethyl]-1,3-thiazole-4-carboxamide
CID 93158742
2-[2-[2-(2,5-dichlorophenoxy)ethylamino]-1,3-thiazol-4-yl]acetate
CID 9155837
N-[[2-[(2,5-dichlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-[2-(dimethylamino)ethyl]-2-fluorobenzamide
CID 46013197
2-[2-[4-(4-chlorophenoxy)butyl]-1,3-thiazol-4-yl]acetic acid
CID 82070583

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2,5-dichlorophenoxy)methyl]-1,3-thiazol-4-yl]acetic acid?
The IUPAC name of 2-[2-[(2,5-dichlorophenoxy)methyl]-1,3-thiazol-4-yl]acetic acid (CID 4980659) is 2-[2-[(2,5-dichlorophenoxy)methyl]-1,3-thiazol-4-yl]acetic acid.
What is the SMILES notation for 2-[2-[(2,5-dichlorophenoxy)methyl]-1,3-thiazol-4-yl]acetic acid?
The canonical SMILES for 2-[2-[(2,5-dichlorophenoxy)methyl]-1,3-thiazol-4-yl]acetic acid is O=C(O)Cc1csc(COc2cc(Cl)ccc2Cl)n1.
What is the InChIKey of 2-[2-[(2,5-dichlorophenoxy)methyl]-1,3-thiazol-4-yl]acetic acid?
The InChIKey is YXNKFHCFYIMZMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2NO3S/c13-7-1-2-9(14)10(3-7)18-5-11-15-8(6-19-11)4-12(16)17/h1-3,6H,4-5H2,(H,16,17).
What are the key properties of 2-[2-[(2,5-dichlorophenoxy)methyl]-1,3-thiazol-4-yl]acetic acid?
2-[2-[(2,5-dichlorophenoxy)methyl]-1,3-thiazol-4-yl]acetic acid has a molecular weight of 318.18 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2,5-dichlorophenoxy)methyl]-1,3-thiazol-4-yl]acetic acid is sourced from PubChem (CID 4980659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).