ethyl 5-(2,2-difluoropropyl)-4-methyl-1,3-thiazole-2-carboxylate

C10H13F2NO2S — CID 176717793

IUPACethyl 5-(2,2-difluoropropyl)-4-methyl-1,3-thiazole-2-carboxylate
SMILESCCOC(=O)c1nc(C)c(CC(C)(F)F)s1
InChIInChI=1S/C10H13F2NO2S/c1-4-15-9(14)8-13-6(2)7(16-8)5-10(3,11)12/h4-5H2,1-3H3
InChIKeyLUQNHOSUYGQABO-UHFFFAOYSA-N
MW249.28 g/mol
LogP2.83
Rot. Bonds4

About ethyl 5-(2,2-difluoropropyl)-4-methyl-1,3-thiazole-2-carboxylate

ethyl 5-(2,2-difluoropropyl)-4-methyl-1,3-thiazole-2-carboxylate (PubChem CID 176717793) has the molecular formula C10H13F2NO2S and a molecular weight of 249.28 g/mol. Its IUPAC name is ethyl 5-(2,2-difluoropropyl)-4-methyl-1,3-thiazole-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-(2,2-difluoropropyl)-4-methyl-1,3-thiazole-2-carboxylate
PubChem CID176717793
Molecular FormulaC10H13F2NO2S
Molecular Weight249.28 g/mol
Exact Mass249.06
IUPAC Nameethyl 5-(2,2-difluoropropyl)-4-methyl-1,3-thiazole-2-carboxylate
SMILESCCOC(=O)c1nc(C)c(CC(C)(F)F)s1
InChIInChI=1S/C10H13F2NO2S/c1-4-15-9(14)8-13-6(2)7(16-8)5-10(3,11)12/h4-5H2,1-3H3
InChIKeyLUQNHOSUYGQABO-UHFFFAOYSA-N
XLogP2.83
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.28
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 5-(2,2-difluoropropyl)-4-methyl-1,3-thiazole-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Ethyl 7-(trifluoromethyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-2-carboxylate
CID 176218138
ethyl 6,6-difluoro-5,7-dihydro-4H-1,3-benzothiazole-2-carboxylate
CID 176218320
[5-(2,2-Difluoropropyl)-4-methyl-1,3-thiazol-2-yl]methanol;methane
CID 176718007
ethyl 2-(7,7-difluoro-5,6-dihydro-4H-1,3-benzothiazol-2-yl)acetate
CID 83853852
7-Fluoro-4,5,6,7-tetrahydro-1,3-benzothiazole-2-carboxylic acid
CID 84721336
7,7-difluoro-5,6-dihydro-4H-1,3-benzothiazole-2-carboxylic acid
CID 84724442
5-(1,1-Difluoroethyl)-4-methyl-1,3-thiazole-2-carboxylic acid
CID 84779351
6-Fluoro-4,5,6,7-tetrahydro-1,3-benzothiazole-2-carboxylic acid
CID 105453379
6,6-difluoro-5,7-dihydro-4H-1,3-benzothiazole-2-carboxylic acid
CID 105473565
5-Ethyl-4-(trifluoromethyl)-1,3-thiazole-2-carboxylic acid
CID 105482750
[5-(2,2-Difluoropropyl)-4-methyl-1,3-thiazol-2-yl]methanol
CID 176718008
Methyl 4-methyl-5-(3-oxopropyl)-1,3-thiazole-2-carboxylate
CID 53737637

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(2,2-difluoropropyl)-4-methyl-1,3-thiazole-2-carboxylate?
The IUPAC name of ethyl 5-(2,2-difluoropropyl)-4-methyl-1,3-thiazole-2-carboxylate (CID 176717793) is ethyl 5-(2,2-difluoropropyl)-4-methyl-1,3-thiazole-2-carboxylate.
What is the SMILES notation for ethyl 5-(2,2-difluoropropyl)-4-methyl-1,3-thiazole-2-carboxylate?
The canonical SMILES for ethyl 5-(2,2-difluoropropyl)-4-methyl-1,3-thiazole-2-carboxylate is CCOC(=O)c1nc(C)c(CC(C)(F)F)s1.
What is the InChIKey of ethyl 5-(2,2-difluoropropyl)-4-methyl-1,3-thiazole-2-carboxylate?
The InChIKey is LUQNHOSUYGQABO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2NO2S/c1-4-15-9(14)8-13-6(2)7(16-8)5-10(3,11)12/h4-5H2,1-3H3.
What are the key properties of ethyl 5-(2,2-difluoropropyl)-4-methyl-1,3-thiazole-2-carboxylate?
ethyl 5-(2,2-difluoropropyl)-4-methyl-1,3-thiazole-2-carboxylate has a molecular weight of 249.28 g/mol, XLogP of 2.83, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(2,2-difluoropropyl)-4-methyl-1,3-thiazole-2-carboxylate is sourced from PubChem (CID 176717793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).