[4-(difluoromethyl)-1,3-thiazol-2-yl] acetate

C6H5F2NO2S — CID 174788246

IUPAC[4-(difluoromethyl)-1,3-thiazol-2-yl] acetate
SMILESCC(=O)Oc1nc(C(F)F)cs1
InChIInChI=1S/C6H5F2NO2S/c1-3(10)11-6-9-4(2-12-6)5(7)8/h2,5H,1H3
InChIKeyDMPUBHRVTZGBEF-UHFFFAOYSA-N
MW193.17 g/mol
LogP2.01
Rot. Bonds2

About [4-(difluoromethyl)-1,3-thiazol-2-yl] acetate

[4-(difluoromethyl)-1,3-thiazol-2-yl] acetate (PubChem CID 174788246) has the molecular formula C6H5F2NO2S and a molecular weight of 193.17 g/mol. Its IUPAC name is [4-(difluoromethyl)-1,3-thiazol-2-yl] acetate.

Molecular Properties

Compound Name[4-(difluoromethyl)-1,3-thiazol-2-yl] acetate
PubChem CID174788246
Molecular FormulaC6H5F2NO2S
Molecular Weight193.17 g/mol
Exact Mass193.00
IUPAC Name[4-(difluoromethyl)-1,3-thiazol-2-yl] acetate
SMILESCC(=O)Oc1nc(C(F)F)cs1
InChIInChI=1S/C6H5F2NO2S/c1-3(10)11-6-9-4(2-12-6)5(7)8/h2,5H,1H3
InChIKeyDMPUBHRVTZGBEF-UHFFFAOYSA-N
XLogP2.01
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.17
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-Methyl-thiazol-2-ylsulfanyl)-acetic acid
CID 645306
{[(2-Methyl-1,3-thiazol-4-yl)methyl]thio}acetic acid
CID 7131480
Potassium 2-fluoro-2-(4-methyl-1,3-thiazol-2-yl)acetate
CID 75480791
Ethyl 2-(4-methyl-1,3-thiazol-2-ylthio)acetate
CID 717361
2-(Difluoromethoxy)-4-methyl-1,3-thiazole
CID 20719786
Methyl 4-(difluoromethyl)thiazole-2-carboxylate
CID 23178460
2-[(2-Methylpropan-2-yl)oxy]-4-(trifluoromethyl)-1,3-thiazole
CID 59637084
2-Methoxy-4-(trifluoromethyl)-1,3-thiazole
CID 59710653
4-Methyl-2-(trifluoromethoxy)-1,3-thiazole
CID 68374718
[4-(Difluoromethyl)-1,3-thiazol-2-yl] hydrogen carbonate
CID 69862337
4-Methyl-2-(trifluoromethoxysulfanyl)-1,3-thiazole
CID 70841970
2-[4-(Difluoromethyl)-1,3-thiazol-2-yl]acetic acid
CID 84772560

Frequently Asked Questions

What is the IUPAC name of [4-(difluoromethyl)-1,3-thiazol-2-yl] acetate?
The IUPAC name of [4-(difluoromethyl)-1,3-thiazol-2-yl] acetate (CID 174788246) is [4-(difluoromethyl)-1,3-thiazol-2-yl] acetate.
What is the SMILES notation for [4-(difluoromethyl)-1,3-thiazol-2-yl] acetate?
The canonical SMILES for [4-(difluoromethyl)-1,3-thiazol-2-yl] acetate is CC(=O)Oc1nc(C(F)F)cs1.
What is the InChIKey of [4-(difluoromethyl)-1,3-thiazol-2-yl] acetate?
The InChIKey is DMPUBHRVTZGBEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F2NO2S/c1-3(10)11-6-9-4(2-12-6)5(7)8/h2,5H,1H3.
What are the key properties of [4-(difluoromethyl)-1,3-thiazol-2-yl] acetate?
[4-(difluoromethyl)-1,3-thiazol-2-yl] acetate has a molecular weight of 193.17 g/mol, XLogP of 2.01, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(difluoromethyl)-1,3-thiazol-2-yl] acetate is sourced from PubChem (CID 174788246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).