2-(2-amino-1,3-thiazol-4-yl)-2,2-difluoroacetic acid

C5H4F2N2O2S — CID 136575771

IUPAC2-(2-amino-1,3-thiazol-4-yl)-2,2-difluoroacetic acid
SMILESNc1nc(C(F)(F)C(=O)O)cs1
InChIInChI=1S/C5H4F2N2O2S/c6-5(7,3(10)11)2-1-12-4(8)9-2/h1H,(H2,8,9)(H,10,11)
InChIKeyPNBALRNMXYYYDO-UHFFFAOYSA-N
MW194.16 g/mol
LogP0.90
Rot. Bonds2

About 2-(2-amino-1,3-thiazol-4-yl)-2,2-difluoroacetic acid

2-(2-amino-1,3-thiazol-4-yl)-2,2-difluoroacetic acid (PubChem CID 136575771) has the molecular formula C5H4F2N2O2S and a molecular weight of 194.16 g/mol. Its IUPAC name is 2-(2-amino-1,3-thiazol-4-yl)-2,2-difluoroacetic acid.

Molecular Properties

Compound Name2-(2-amino-1,3-thiazol-4-yl)-2,2-difluoroacetic acid
PubChem CID136575771
Molecular FormulaC5H4F2N2O2S
Molecular Weight194.16 g/mol
Exact Mass194.00
IUPAC Name2-(2-amino-1,3-thiazol-4-yl)-2,2-difluoroacetic acid
SMILESNc1nc(C(F)(F)C(=O)O)cs1
InChIInChI=1S/C5H4F2N2O2S/c6-5(7,3(10)11)2-1-12-4(8)9-2/h1H,(H2,8,9)(H,10,11)
InChIKeyPNBALRNMXYYYDO-UHFFFAOYSA-N
XLogP0.90
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.16
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-1,3-thiazol-4-yl)-2,2-difluoroacetic acid?
The IUPAC name of 2-(2-amino-1,3-thiazol-4-yl)-2,2-difluoroacetic acid (CID 136575771) is 2-(2-amino-1,3-thiazol-4-yl)-2,2-difluoroacetic acid.
What is the SMILES notation for 2-(2-amino-1,3-thiazol-4-yl)-2,2-difluoroacetic acid?
The canonical SMILES for 2-(2-amino-1,3-thiazol-4-yl)-2,2-difluoroacetic acid is Nc1nc(C(F)(F)C(=O)O)cs1.
What is the InChIKey of 2-(2-amino-1,3-thiazol-4-yl)-2,2-difluoroacetic acid?
The InChIKey is PNBALRNMXYYYDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F2N2O2S/c6-5(7,3(10)11)2-1-12-4(8)9-2/h1H,(H2,8,9)(H,10,11).
What are the key properties of 2-(2-amino-1,3-thiazol-4-yl)-2,2-difluoroacetic acid?
2-(2-amino-1,3-thiazol-4-yl)-2,2-difluoroacetic acid has a molecular weight of 194.16 g/mol, XLogP of 0.90, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-1,3-thiazol-4-yl)-2,2-difluoroacetic acid is sourced from PubChem (CID 136575771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).