2-[5-(difluoromethyl)-4-methyl-1,3-thiazol-2-yl]propanoic acid

C8H9F2NO2S — CID 84787769

IUPAC2-[5-(difluoromethyl)-4-methyl-1,3-thiazol-2-yl]propanoic acid
SMILESCc1nc(C(C)C(=O)O)sc1C(F)F
InChIInChI=1S/C8H9F2NO2S/c1-3(8(12)13)7-11-4(2)5(14-7)6(9)10/h3,6H,1-2H3,(H,12,13)
InChIKeyUQEQWYFEGLLTNI-UHFFFAOYSA-N
MW221.23 g/mol
LogP2.58
Rot. Bonds3

About 2-[5-(difluoromethyl)-4-methyl-1,3-thiazol-2-yl]propanoic acid

2-[5-(difluoromethyl)-4-methyl-1,3-thiazol-2-yl]propanoic acid (PubChem CID 84787769) has the molecular formula C8H9F2NO2S and a molecular weight of 221.23 g/mol. Its IUPAC name is 2-[5-(difluoromethyl)-4-methyl-1,3-thiazol-2-yl]propanoic acid.

Molecular Properties

Compound Name2-[5-(difluoromethyl)-4-methyl-1,3-thiazol-2-yl]propanoic acid
PubChem CID84787769
Molecular FormulaC8H9F2NO2S
Molecular Weight221.23 g/mol
Exact Mass221.03
IUPAC Name2-[5-(difluoromethyl)-4-methyl-1,3-thiazol-2-yl]propanoic acid
SMILESCc1nc(C(C)C(=O)O)sc1C(F)F
InChIInChI=1S/C8H9F2NO2S/c1-3(8(12)13)7-11-4(2)5(14-7)6(9)10/h3,6H,1-2H3,(H,12,13)
InChIKeyUQEQWYFEGLLTNI-UHFFFAOYSA-N
XLogP2.58
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.23
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Sodium 2-(dimethyl-1,3-thiazol-2-yl)acetate
CID 47003310
Ethyl 2-(dimethyl-1,3-thiazol-2-YL)acetate
CID 60675946
2-Thiazoleacetic acid, 4,5-dimethyl-
CID 19845521
4-(Fluoromethyl)-2-propan-2-yl-1,3-thiazole-5-carboxylic acid
CID 19885506
2-(Propan-2-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
CID 19885559
(2E)-2-(4,5-dimethyl-1,3-thiazol-2-yl)-2-hydroxyiminoacetic acid
CID 137275633
CID 53419966
CID 53419966
3-(4,5-Dimethyl-1,3-thiazol-2-yl)-1,1,1-trifluoropropan-2-one
CID 80305206
2-(2-Methylpropyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
CID 82276864
2-[5-(Fluoromethyl)-4-methyl-1,3-thiazol-2-yl]acetic acid
CID 84771005
2-[5-(Fluoromethyl)-4-methyl-1,3-thiazol-2-yl]propanoic acid
CID 84777166
3-[5-(Fluoromethyl)-4-methyl-1,3-thiazol-2-yl]propanoic acid
CID 84777167

Frequently Asked Questions

What is the IUPAC name of 2-[5-(difluoromethyl)-4-methyl-1,3-thiazol-2-yl]propanoic acid?
The IUPAC name of 2-[5-(difluoromethyl)-4-methyl-1,3-thiazol-2-yl]propanoic acid (CID 84787769) is 2-[5-(difluoromethyl)-4-methyl-1,3-thiazol-2-yl]propanoic acid.
What is the SMILES notation for 2-[5-(difluoromethyl)-4-methyl-1,3-thiazol-2-yl]propanoic acid?
The canonical SMILES for 2-[5-(difluoromethyl)-4-methyl-1,3-thiazol-2-yl]propanoic acid is Cc1nc(C(C)C(=O)O)sc1C(F)F.
What is the InChIKey of 2-[5-(difluoromethyl)-4-methyl-1,3-thiazol-2-yl]propanoic acid?
The InChIKey is UQEQWYFEGLLTNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F2NO2S/c1-3(8(12)13)7-11-4(2)5(14-7)6(9)10/h3,6H,1-2H3,(H,12,13).
What are the key properties of 2-[5-(difluoromethyl)-4-methyl-1,3-thiazol-2-yl]propanoic acid?
2-[5-(difluoromethyl)-4-methyl-1,3-thiazol-2-yl]propanoic acid has a molecular weight of 221.23 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(difluoromethyl)-4-methyl-1,3-thiazol-2-yl]propanoic acid is sourced from PubChem (CID 84787769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).