ethyl 3-methyl-5-[[1-(trifluoromethyl)cyclopropyl]amino]-1,2-thiazole-4-carboxylate

C11H13F3N2O2S — CID 106219429

IUPACethyl 3-methyl-5-[[1-(trifluoromethyl)cyclopropyl]amino]-1,2-thiazole-4-carboxylate
SMILESCCOC(=O)c1c(C)nsc1NC1(C(F)(F)F)CC1
InChIInChI=1S/C11H13F3N2O2S/c1-3-18-9(17)7-6(2)16-19-8(7)15-10(4-5-10)11(12,13)14/h15H,3-5H2,1-2H3
InChIKeyQTJVJCGKNDRECK-UHFFFAOYSA-N
MW294.30 g/mol
LogP3.14
Rot. Bonds4

About ethyl 3-methyl-5-[[1-(trifluoromethyl)cyclopropyl]amino]-1,2-thiazole-4-carboxylate

ethyl 3-methyl-5-[[1-(trifluoromethyl)cyclopropyl]amino]-1,2-thiazole-4-carboxylate (PubChem CID 106219429) has the molecular formula C11H13F3N2O2S and a molecular weight of 294.30 g/mol. Its IUPAC name is ethyl 3-methyl-5-[[1-(trifluoromethyl)cyclopropyl]amino]-1,2-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 3-methyl-5-[[1-(trifluoromethyl)cyclopropyl]amino]-1,2-thiazole-4-carboxylate
PubChem CID106219429
Molecular FormulaC11H13F3N2O2S
Molecular Weight294.30 g/mol
Exact Mass294.06
IUPAC Nameethyl 3-methyl-5-[[1-(trifluoromethyl)cyclopropyl]amino]-1,2-thiazole-4-carboxylate
SMILESCCOC(=O)c1c(C)nsc1NC1(C(F)(F)F)CC1
InChIInChI=1S/C11H13F3N2O2S/c1-3-18-9(17)7-6(2)16-19-8(7)15-10(4-5-10)11(12,13)14/h15H,3-5H2,1-2H3
InChIKeyQTJVJCGKNDRECK-UHFFFAOYSA-N
XLogP3.14
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.30
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl 5-(ethoxycarbonylamino)-3-methylisothiazole-4-carboxylate
CID 843005
Ethyl 5-(cyclobutylcarbonylamino)-3-methylisothiazole-4-carboxylate
CID 6465368
Ethyl 3-methyl-5-(methylamino)isothiazole-4-carboxylate
CID 45089557
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
3-Methyl-5-(3,3,3-trifluoropropanoylamino)-1,2-thiazole-4-carboxylic acid
CID 60871360
3-Methyl-5-(4,4,4-trifluorobutanoylamino)-1,2-thiazole-4-carboxylic acid
CID 65711502
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

Frequently Asked Questions

What is the IUPAC name of ethyl 3-methyl-5-[[1-(trifluoromethyl)cyclopropyl]amino]-1,2-thiazole-4-carboxylate?
The IUPAC name of ethyl 3-methyl-5-[[1-(trifluoromethyl)cyclopropyl]amino]-1,2-thiazole-4-carboxylate (CID 106219429) is ethyl 3-methyl-5-[[1-(trifluoromethyl)cyclopropyl]amino]-1,2-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 3-methyl-5-[[1-(trifluoromethyl)cyclopropyl]amino]-1,2-thiazole-4-carboxylate?
The canonical SMILES for ethyl 3-methyl-5-[[1-(trifluoromethyl)cyclopropyl]amino]-1,2-thiazole-4-carboxylate is CCOC(=O)c1c(C)nsc1NC1(C(F)(F)F)CC1.
What is the InChIKey of ethyl 3-methyl-5-[[1-(trifluoromethyl)cyclopropyl]amino]-1,2-thiazole-4-carboxylate?
The InChIKey is QTJVJCGKNDRECK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O2S/c1-3-18-9(17)7-6(2)16-19-8(7)15-10(4-5-10)11(12,13)14/h15H,3-5H2,1-2H3.
What are the key properties of ethyl 3-methyl-5-[[1-(trifluoromethyl)cyclopropyl]amino]-1,2-thiazole-4-carboxylate?
ethyl 3-methyl-5-[[1-(trifluoromethyl)cyclopropyl]amino]-1,2-thiazole-4-carboxylate has a molecular weight of 294.30 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-methyl-5-[[1-(trifluoromethyl)cyclopropyl]amino]-1,2-thiazole-4-carboxylate is sourced from PubChem (CID 106219429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).