2-(2,2-difluoroethylamino)-1,3-thiazole-5-carboxylic acid

C6H6F2N2O2S — CID 115409393

IUPAC2-(2,2-difluoroethylamino)-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1cnc(NCC(F)F)s1
InChIInChI=1S/C6H6F2N2O2S/c7-4(8)2-10-6-9-1-3(13-6)5(11)12/h1,4H,2H2,(H,9,10)(H,11,12)
InChIKeyCGNBZEQBIYEYCC-UHFFFAOYSA-N
MW208.19 g/mol
LogP1.52
Rot. Bonds4

About 2-(2,2-difluoroethylamino)-1,3-thiazole-5-carboxylic acid

2-(2,2-difluoroethylamino)-1,3-thiazole-5-carboxylic acid (PubChem CID 115409393) has the molecular formula C6H6F2N2O2S and a molecular weight of 208.19 g/mol. Its IUPAC name is 2-(2,2-difluoroethylamino)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(2,2-difluoroethylamino)-1,3-thiazole-5-carboxylic acid
PubChem CID115409393
Molecular FormulaC6H6F2N2O2S
Molecular Weight208.19 g/mol
Exact Mass208.01
IUPAC Name2-(2,2-difluoroethylamino)-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1cnc(NCC(F)F)s1
InChIInChI=1S/C6H6F2N2O2S/c7-4(8)2-10-6-9-1-3(13-6)5(11)12/h1,4H,2H2,(H,9,10)(H,11,12)
InChIKeyCGNBZEQBIYEYCC-UHFFFAOYSA-N
XLogP1.52
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.19
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-aminoethylamino)-1,3-thiazole-5-carboxylic acid
CID 130569064
2-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]-1,3-thiazole-5-carboxylic acid
CID 80571368
2-[[2-(methylamino)-2-oxoethyl]amino]-1,3-thiazole-5-carboxylic acid
CID 80571798
2-(2-methylprop-2-enylamino)-1,3-thiazole-5-carboxylic acid
CID 130569093
2-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]-1,3-thiazole-5-carboxylic acid
CID 106280433
2-(2H-tetrazol-5-ylmethylamino)-1,3-thiazole-5-carboxylic acid
CID 80571029
2-(octylamino)-1,3-thiazole-5-carboxylic acid
CID 115565235
2-[(3-hydroxycyclobutyl)methylamino]-1,3-thiazole-5-carboxylic acid
CID 130569074
2-[[2-(trifluoromethyl)phenyl]methylamino]-1,3-thiazole-5-carboxylic acid
CID 80571494
2-(4-propan-2-yloxybutylamino)-1,3-thiazole-5-carboxylic acid
CID 106006404
2-[(3-fluorophenyl)methylamino]-1,3-thiazole-5-carboxylic acid
CID 80571876
2-(3-phenylpropylamino)-1,3-thiazole-5-carboxylic acid
CID 80572360

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoroethylamino)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-(2,2-difluoroethylamino)-1,3-thiazole-5-carboxylic acid (CID 115409393) is 2-(2,2-difluoroethylamino)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-(2,2-difluoroethylamino)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-(2,2-difluoroethylamino)-1,3-thiazole-5-carboxylic acid is O=C(O)c1cnc(NCC(F)F)s1.
What is the InChIKey of 2-(2,2-difluoroethylamino)-1,3-thiazole-5-carboxylic acid?
The InChIKey is CGNBZEQBIYEYCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F2N2O2S/c7-4(8)2-10-6-9-1-3(13-6)5(11)12/h1,4H,2H2,(H,9,10)(H,11,12).
What are the key properties of 2-(2,2-difluoroethylamino)-1,3-thiazole-5-carboxylic acid?
2-(2,2-difluoroethylamino)-1,3-thiazole-5-carboxylic acid has a molecular weight of 208.19 g/mol, XLogP of 1.52, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoroethylamino)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 115409393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).