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

C10H12F4N2O2S — CID 106295441

IUPACethyl 3-methyl-5-(2,2,3,3-tetrafluoropropylamino)-1,2-thiazole-4-carboxylate
SMILESCCOC(=O)c1c(C)nsc1NCC(F)(F)C(F)F
InChIInChI=1S/C10H12F4N2O2S/c1-3-18-8(17)6-5(2)16-19-7(6)15-4-10(13,14)9(11)12/h9,15H,3-4H2,1-2H3
InChIKeyPAWHVVGBHVLSPB-UHFFFAOYSA-N
MW300.28 g/mol
LogP2.94
Rot. Bonds6

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

ethyl 3-methyl-5-(2,2,3,3-tetrafluoropropylamino)-1,2-thiazole-4-carboxylate (PubChem CID 106295441) has the molecular formula C10H12F4N2O2S and a molecular weight of 300.28 g/mol. Its IUPAC name is ethyl 3-methyl-5-(2,2,3,3-tetrafluoropropylamino)-1,2-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 3-methyl-5-(2,2,3,3-tetrafluoropropylamino)-1,2-thiazole-4-carboxylate
PubChem CID106295441
Molecular FormulaC10H12F4N2O2S
Molecular Weight300.28 g/mol
Exact Mass300.06
IUPAC Nameethyl 3-methyl-5-(2,2,3,3-tetrafluoropropylamino)-1,2-thiazole-4-carboxylate
SMILESCCOC(=O)c1c(C)nsc1NCC(F)(F)C(F)F
InChIInChI=1S/C10H12F4N2O2S/c1-3-18-8(17)6-5(2)16-19-7(6)15-4-10(13,14)9(11)12/h9,15H,3-4H2,1-2H3
InChIKeyPAWHVVGBHVLSPB-UHFFFAOYSA-N
XLogP2.94
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.28
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

3-[3-Methyl-5-(methylamino)-1,2-thiazole-4-carbonyl]oxypropyl 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate
CID 17476799
Ethyl 5-(ethoxycarbonylamino)-3-methylisothiazole-4-carboxylate
CID 843005
Ethyl 3-methyl-5-(methylamino)isothiazole-4-carboxylate
CID 45089557
[2-(Butan-2-ylamino)-2-oxoethyl] 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate
CID 16322083
Methyl 5-(ethoxycarbonylamino)-3-methyl-1,2-thiazole-4-carboxylate
CID 13216993
Ethyl 5-acetamido-3-methyl-1,2-thiazole-4-carboxylate
CID 17164247
[2-Oxo-2-(2,2,2-trifluoroethylamino)ethyl] 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate
CID 29680255
3-Methyl-5-[3-(2,2,2-trifluoroethoxy)propanoylamino]-1,2-thiazole-4-carboxylic acid
CID 60870139
Ethyl 3-methyl-5-(3,3,3-trifluoropropylamino)-1,2-thiazole-4-carboxylate
CID 79363508
Ethyl 3-methyl-5-[2-(2,2,2-trifluoroethoxy)ethylamino]-1,2-thiazole-4-carboxylate
CID 79363581
Ethyl 3-methyl-5-(2,2,2-trifluoroethylamino)-1,2-thiazole-4-carboxylate
CID 79376265
3-Methyl-5-(3,3,3-trifluoropropylamino)-1,2-thiazole-4-carboxylic acid
CID 79401911

Frequently Asked Questions

What is the IUPAC name of ethyl 3-methyl-5-(2,2,3,3-tetrafluoropropylamino)-1,2-thiazole-4-carboxylate?
The IUPAC name of ethyl 3-methyl-5-(2,2,3,3-tetrafluoropropylamino)-1,2-thiazole-4-carboxylate (CID 106295441) is ethyl 3-methyl-5-(2,2,3,3-tetrafluoropropylamino)-1,2-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 3-methyl-5-(2,2,3,3-tetrafluoropropylamino)-1,2-thiazole-4-carboxylate?
The canonical SMILES for ethyl 3-methyl-5-(2,2,3,3-tetrafluoropropylamino)-1,2-thiazole-4-carboxylate is CCOC(=O)c1c(C)nsc1NCC(F)(F)C(F)F.
What is the InChIKey of ethyl 3-methyl-5-(2,2,3,3-tetrafluoropropylamino)-1,2-thiazole-4-carboxylate?
The InChIKey is PAWHVVGBHVLSPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F4N2O2S/c1-3-18-8(17)6-5(2)16-19-7(6)15-4-10(13,14)9(11)12/h9,15H,3-4H2,1-2H3.
What are the key properties of ethyl 3-methyl-5-(2,2,3,3-tetrafluoropropylamino)-1,2-thiazole-4-carboxylate?
ethyl 3-methyl-5-(2,2,3,3-tetrafluoropropylamino)-1,2-thiazole-4-carboxylate has a molecular weight of 300.28 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-methyl-5-(2,2,3,3-tetrafluoropropylamino)-1,2-thiazole-4-carboxylate is sourced from PubChem (CID 106295441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).