4-(2,2-difluoroethylcarbamoyl)-1,3-thiazole-2-carboxylic acid

C7H6F2N2O3S — CID 104892941

IUPAC4-(2,2-difluoroethylcarbamoyl)-1,3-thiazole-2-carboxylic acid
SMILESO=C(NCC(F)F)c1csc(C(=O)O)n1
InChIInChI=1S/C7H6F2N2O3S/c8-4(9)1-10-5(12)3-2-15-6(11-3)7(13)14/h2,4H,1H2,(H,10,12)(H,13,14)
InChIKeyKQFCOKWEBXIFRL-UHFFFAOYSA-N
MW236.20 g/mol
LogP0.84
Rot. Bonds4

About 4-(2,2-difluoroethylcarbamoyl)-1,3-thiazole-2-carboxylic acid

4-(2,2-difluoroethylcarbamoyl)-1,3-thiazole-2-carboxylic acid (PubChem CID 104892941) has the molecular formula C7H6F2N2O3S and a molecular weight of 236.20 g/mol. Its IUPAC name is 4-(2,2-difluoroethylcarbamoyl)-1,3-thiazole-2-carboxylic acid.

Molecular Properties

Compound Name4-(2,2-difluoroethylcarbamoyl)-1,3-thiazole-2-carboxylic acid
PubChem CID104892941
Molecular FormulaC7H6F2N2O3S
Molecular Weight236.20 g/mol
Exact Mass236.01
IUPAC Name4-(2,2-difluoroethylcarbamoyl)-1,3-thiazole-2-carboxylic acid
SMILESO=C(NCC(F)F)c1csc(C(=O)O)n1
InChIInChI=1S/C7H6F2N2O3S/c8-4(9)1-10-5(12)3-2-15-6(11-3)7(13)14/h2,4H,1H2,(H,10,12)(H,13,14)
InChIKeyKQFCOKWEBXIFRL-UHFFFAOYSA-N
XLogP0.84
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.20
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2,2-difluoroethyl(methyl)carbamoyl]-1,3-thiazole-2-carboxylic acid
CID 104893092
N-(2-methylpropyl)-2-(pyrrolidine-1-carbonyl)-1,3-thiazole-4-carboxamide
CID 53158373
6-(2,2-difluoroethylcarbamoyl)pyridine-2-carboxylic acid
CID 115408328
N-(2,2-difluoroethyl)-6-fluoro-5-hydroxypyridine-2-carboxamide
CID 176996036
2-N-cyclopropyl-4-N-(2-methylpropyl)-1,3-thiazole-2,4-dicarboxamide
CID 53158467
2-[[1-(2-methylpropylamino)-1-oxopropan-2-yl]carbamoyl]-1,3-thiazole-4-carboxylic acid
CID 116697408
4-methoxycarbonyl-1,3-thiazole-2-carboxylic acid
CID 84770279
2-(2-pyrrolidin-1-ylpropylcarbamoyl)-1,3-thiazole-4-carboxylic acid
CID 116697328
4-(4,4-difluoropiperidine-1-carbonyl)-1,3-thiazole-2-carboxylic acid
CID 174900156
(2S)-3-[(2-amino-1,3-thiazole-4-carbonyl)amino]-2-hydroxypropanoic acid
CID 107835842
3-[(2-amino-1,3-thiazole-4-carbonyl)amino]-2-methylpropanoic acid
CID 62787414
N-(3-hydroxy-2-methylpropyl)-2-methyl-1,3-thiazole-4-carboxamide
CID 65198786

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-difluoroethylcarbamoyl)-1,3-thiazole-2-carboxylic acid?
The IUPAC name of 4-(2,2-difluoroethylcarbamoyl)-1,3-thiazole-2-carboxylic acid (CID 104892941) is 4-(2,2-difluoroethylcarbamoyl)-1,3-thiazole-2-carboxylic acid.
What is the SMILES notation for 4-(2,2-difluoroethylcarbamoyl)-1,3-thiazole-2-carboxylic acid?
The canonical SMILES for 4-(2,2-difluoroethylcarbamoyl)-1,3-thiazole-2-carboxylic acid is O=C(NCC(F)F)c1csc(C(=O)O)n1.
What is the InChIKey of 4-(2,2-difluoroethylcarbamoyl)-1,3-thiazole-2-carboxylic acid?
The InChIKey is KQFCOKWEBXIFRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F2N2O3S/c8-4(9)1-10-5(12)3-2-15-6(11-3)7(13)14/h2,4H,1H2,(H,10,12)(H,13,14).
What are the key properties of 4-(2,2-difluoroethylcarbamoyl)-1,3-thiazole-2-carboxylic acid?
4-(2,2-difluoroethylcarbamoyl)-1,3-thiazole-2-carboxylic acid has a molecular weight of 236.20 g/mol, XLogP of 0.84, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-difluoroethylcarbamoyl)-1,3-thiazole-2-carboxylic acid is sourced from PubChem (CID 104892941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).