2-(2-chloro-1,3-thiazol-5-yl)-2,2-difluoroacetic acid

C5H2ClF2NO2S — CID 154879069

IUPAC2-(2-chloro-1,3-thiazol-5-yl)-2,2-difluoroacetic acid
SMILESO=C(O)C(F)(F)c1cnc(Cl)s1
InChIInChI=1S/C5H2ClF2NO2S/c6-4-9-1-2(12-4)5(7,8)3(10)11/h1H,(H,10,11)
InChIKeyAGBKZSVKBVUTPH-UHFFFAOYSA-N
MW213.59 g/mol
LogP1.97
Rot. Bonds2

About 2-(2-chloro-1,3-thiazol-5-yl)-2,2-difluoroacetic acid

2-(2-chloro-1,3-thiazol-5-yl)-2,2-difluoroacetic acid (PubChem CID 154879069) has the molecular formula C5H2ClF2NO2S and a molecular weight of 213.59 g/mol. Its IUPAC name is 2-(2-chloro-1,3-thiazol-5-yl)-2,2-difluoroacetic acid.

Molecular Properties

Compound Name2-(2-chloro-1,3-thiazol-5-yl)-2,2-difluoroacetic acid
PubChem CID154879069
Molecular FormulaC5H2ClF2NO2S
Molecular Weight213.59 g/mol
Exact Mass212.95
IUPAC Name2-(2-chloro-1,3-thiazol-5-yl)-2,2-difluoroacetic acid
SMILESO=C(O)C(F)(F)c1cnc(Cl)s1
InChIInChI=1S/C5H2ClF2NO2S/c6-4-9-1-2(12-4)5(7,8)3(10)11/h1H,(H,10,11)
InChIKeyAGBKZSVKBVUTPH-UHFFFAOYSA-N
XLogP1.97
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.59
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2-chloro-1,3-thiazol-5-yl)-2,2-difluoroacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-Methyl-1,3-thiazol-5-yl)acetic acid
CID 6852046
5-Thiazoleacetic acid
CID 349439
Methyl 2-(1,3-thiazol-5-yl)acetate
CID 28811855
2-(1,3-Thiazol-5-yl)propanoic acid
CID 57471701
Methyl 2-(2-chloro-1,3-thiazol-5-yl)acetate
CID 71721406
2-Methyl-2-(1,3-thiazol-5-yl)propanoic acid
CID 165490479
Ethyl 2-(2-chloro-1,3-thiazol-5-yl)-2,2-difluoroacetate
CID 170912876
2,2-Difluoro-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]acetic acid
CID 106784032
2,2-Difluoro-2-(thiazol-5-yl)acetic acid
CID 132353917
Ethyl 2,2-difluoro-2-(1,3-thiazol-5-yl)acetate
CID 140207168
2-[2-(2,2,2-Trifluoroethoxy)-1,3-thiazol-5-yl]acetic acid
CID 174738797
Methyl [2-(trifluoromethyl)-1,3-thiazol-5-YL]acetate
CID 72214631

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-1,3-thiazol-5-yl)-2,2-difluoroacetic acid?
The IUPAC name of 2-(2-chloro-1,3-thiazol-5-yl)-2,2-difluoroacetic acid (CID 154879069) is 2-(2-chloro-1,3-thiazol-5-yl)-2,2-difluoroacetic acid.
What is the SMILES notation for 2-(2-chloro-1,3-thiazol-5-yl)-2,2-difluoroacetic acid?
The canonical SMILES for 2-(2-chloro-1,3-thiazol-5-yl)-2,2-difluoroacetic acid is O=C(O)C(F)(F)c1cnc(Cl)s1.
What is the InChIKey of 2-(2-chloro-1,3-thiazol-5-yl)-2,2-difluoroacetic acid?
The InChIKey is AGBKZSVKBVUTPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2ClF2NO2S/c6-4-9-1-2(12-4)5(7,8)3(10)11/h1H,(H,10,11).
What are the key properties of 2-(2-chloro-1,3-thiazol-5-yl)-2,2-difluoroacetic acid?
2-(2-chloro-1,3-thiazol-5-yl)-2,2-difluoroacetic acid has a molecular weight of 213.59 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-1,3-thiazol-5-yl)-2,2-difluoroacetic acid is sourced from PubChem (CID 154879069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).