4-[2,2-difluoroethyl(methyl)carbamoyl]-1,3-thiazole-2-carboxylic acid

C8H8F2N2O3S — CID 104893092

IUPAC4-[2,2-difluoroethyl(methyl)carbamoyl]-1,3-thiazole-2-carboxylic acid
SMILESCN(CC(F)F)C(=O)c1csc(C(=O)O)n1
InChIInChI=1S/C8H8F2N2O3S/c1-12(2-5(9)10)7(13)4-3-16-6(11-4)8(14)15/h3,5H,2H2,1H3,(H,14,15)
InChIKeyYCPIBNHBDXZDPN-UHFFFAOYSA-N
MW250.23 g/mol
LogP1.18
Rot. Bonds4

About 4-[2,2-difluoroethyl(methyl)carbamoyl]-1,3-thiazole-2-carboxylic acid

4-[2,2-difluoroethyl(methyl)carbamoyl]-1,3-thiazole-2-carboxylic acid (PubChem CID 104893092) has the molecular formula C8H8F2N2O3S and a molecular weight of 250.23 g/mol. Its IUPAC name is 4-[2,2-difluoroethyl(methyl)carbamoyl]-1,3-thiazole-2-carboxylic acid.

Molecular Properties

Compound Name4-[2,2-difluoroethyl(methyl)carbamoyl]-1,3-thiazole-2-carboxylic acid
PubChem CID104893092
Molecular FormulaC8H8F2N2O3S
Molecular Weight250.23 g/mol
Exact Mass250.02
IUPAC Name4-[2,2-difluoroethyl(methyl)carbamoyl]-1,3-thiazole-2-carboxylic acid
SMILESCN(CC(F)F)C(=O)c1csc(C(=O)O)n1
InChIInChI=1S/C8H8F2N2O3S/c1-12(2-5(9)10)7(13)4-3-16-6(11-4)8(14)15/h3,5H,2H2,1H3,(H,14,15)
InChIKeyYCPIBNHBDXZDPN-UHFFFAOYSA-N
XLogP1.18
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.23
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[methyl(2-methylsulfanylethyl)carbamoyl]-1,3-thiazole-2-carboxylic acid
CID 104892993
4-(2,2-difluoroethylcarbamoyl)-1,3-thiazole-2-carboxylic acid
CID 104892941
3-[2,2-difluoroethyl(methyl)carbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107370004
2-[methyl(pentan-3-yl)carbamoyl]-1,3-thiazole-4-carboxylic acid
CID 116696720
2-[2-methylpropyl(propan-2-yl)carbamoyl]-1,3-thiazole-4-carboxylic acid
CID 116696928
4-methoxycarbonyl-1,3-thiazole-2-carboxylic acid
CID 84770279
2-[benzyl(methyl)carbamoyl]-1,3-thiazole-4-carboxylic acid
CID 116696567
4-[methyl(oxolan-3-yl)carbamoyl]-1,3-thiazole-2-carboxylic acid
CID 104892962
N-(2,2-difluoroethyl)-N-methylthiophene-2-carboxamide
CID 115611555
2-(4-fluorophenyl)-N-(2-hydroxy-3-methoxypropyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 111695081
2-[bis(2-methoxyethyl)carbamoyl]-1,3-thiazole-4-carboxylic acid
CID 116696799
4-ethyl-1,3-thiazole-2-carboxylic acid
CID 39235458

Frequently Asked Questions

What is the IUPAC name of 4-[2,2-difluoroethyl(methyl)carbamoyl]-1,3-thiazole-2-carboxylic acid?
The IUPAC name of 4-[2,2-difluoroethyl(methyl)carbamoyl]-1,3-thiazole-2-carboxylic acid (CID 104893092) is 4-[2,2-difluoroethyl(methyl)carbamoyl]-1,3-thiazole-2-carboxylic acid.
What is the SMILES notation for 4-[2,2-difluoroethyl(methyl)carbamoyl]-1,3-thiazole-2-carboxylic acid?
The canonical SMILES for 4-[2,2-difluoroethyl(methyl)carbamoyl]-1,3-thiazole-2-carboxylic acid is CN(CC(F)F)C(=O)c1csc(C(=O)O)n1.
What is the InChIKey of 4-[2,2-difluoroethyl(methyl)carbamoyl]-1,3-thiazole-2-carboxylic acid?
The InChIKey is YCPIBNHBDXZDPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F2N2O3S/c1-12(2-5(9)10)7(13)4-3-16-6(11-4)8(14)15/h3,5H,2H2,1H3,(H,14,15).
What are the key properties of 4-[2,2-difluoroethyl(methyl)carbamoyl]-1,3-thiazole-2-carboxylic acid?
4-[2,2-difluoroethyl(methyl)carbamoyl]-1,3-thiazole-2-carboxylic acid has a molecular weight of 250.23 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,2-difluoroethyl(methyl)carbamoyl]-1,3-thiazole-2-carboxylic acid is sourced from PubChem (CID 104893092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).