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

C11H8Cl2N2O2S — CID 75176643

IUPAC2-[2-(2,5-dichloroanilino)-1,3-thiazol-4-yl]acetic acid
SMILESO=C(O)Cc1csc(Nc2cc(Cl)ccc2Cl)n1
InChIInChI=1S/C11H8Cl2N2O2S/c12-6-1-2-8(13)9(3-6)15-11-14-7(5-18-11)4-10(16)17/h1-3,5H,4H2,(H,14,15)(H,16,17)
InChIKeyXKMQWSCEOOTUFS-UHFFFAOYSA-N
MW303.17 g/mol
LogP3.82
Rot. Bonds4

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

2-[2-(2,5-dichloroanilino)-1,3-thiazol-4-yl]acetic acid (PubChem CID 75176643) has the molecular formula C11H8Cl2N2O2S and a molecular weight of 303.17 g/mol. Its IUPAC name is 2-[2-(2,5-dichloroanilino)-1,3-thiazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(2,5-dichloroanilino)-1,3-thiazol-4-yl]acetic acid
PubChem CID75176643
Molecular FormulaC11H8Cl2N2O2S
Molecular Weight303.17 g/mol
Exact Mass301.97
IUPAC Name2-[2-(2,5-dichloroanilino)-1,3-thiazol-4-yl]acetic acid
SMILESO=C(O)Cc1csc(Nc2cc(Cl)ccc2Cl)n1
InChIInChI=1S/C11H8Cl2N2O2S/c12-6-1-2-8(13)9(3-6)15-11-14-7(5-18-11)4-10(16)17/h1-3,5H,4H2,(H,14,15)(H,16,17)
InChIKeyXKMQWSCEOOTUFS-UHFFFAOYSA-N
XLogP3.82
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.17
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[2-chloro-5-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]acetic acid
CID 80574105
2-[2-(4-bromo-2-chloroanilino)-1,3-thiazol-4-yl]acetic acid
CID 80575425
2-amino-2-[2-(2,5-dichloroanilino)-1,3-thiazol-4-yl]acetic acid
CID 104527348
2-[2-(2,3,5-trifluoroanilino)-1,3-thiazol-4-yl]acetic acid
CID 80576751
2-[2-(5-chloro-2-methoxyanilino)-1,3-thiazol-4-yl]acetate
CID 9154786
2-[2-[(2-bromo-4-chlorobenzoyl)amino]-1,3-thiazol-4-yl]acetic acid
CID 107986384
2-[2-(4-fluoro-2-iodoanilino)-1,3-thiazol-4-yl]acetic acid
CID 80576564
2-[2-[[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]amino]-1,3-thiazol-4-yl]acetic acid
CID 45387882
2-[2-[(2-methyl-3-pyridinyl)amino]-1,3-thiazol-4-yl]acetic acid
CID 80576595
2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]acetic acid
CID 1133217
2-[2-[(3-chlorothiophene-2-carbonyl)amino]-1,3-thiazol-4-yl]acetic acid
CID 80644266
2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-(2,5-dichlorophenyl)acetamide
CID 110450896

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,5-dichloroanilino)-1,3-thiazol-4-yl]acetic acid?
The IUPAC name of 2-[2-(2,5-dichloroanilino)-1,3-thiazol-4-yl]acetic acid (CID 75176643) is 2-[2-(2,5-dichloroanilino)-1,3-thiazol-4-yl]acetic acid.
What is the SMILES notation for 2-[2-(2,5-dichloroanilino)-1,3-thiazol-4-yl]acetic acid?
The canonical SMILES for 2-[2-(2,5-dichloroanilino)-1,3-thiazol-4-yl]acetic acid is O=C(O)Cc1csc(Nc2cc(Cl)ccc2Cl)n1.
What is the InChIKey of 2-[2-(2,5-dichloroanilino)-1,3-thiazol-4-yl]acetic acid?
The InChIKey is XKMQWSCEOOTUFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2N2O2S/c12-6-1-2-8(13)9(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-(2,5-dichloroanilino)-1,3-thiazol-4-yl]acetic acid?
2-[2-(2,5-dichloroanilino)-1,3-thiazol-4-yl]acetic acid has a molecular weight of 303.17 g/mol, XLogP of 3.82, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,5-dichloroanilino)-1,3-thiazol-4-yl]acetic acid is sourced from PubChem (CID 75176643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).