ethyl 2-(thiophen-2-ylsulfonylamino)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate

C11H9F3N2O4S3 — CID 84564229

IUPACethyl 2-(thiophen-2-ylsulfonylamino)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(NS(=O)(=O)c2cccs2)nc1C(F)(F)F
InChIInChI=1S/C11H9F3N2O4S3/c1-2-20-9(17)7-8(11(12,13)14)15-10(22-7)16-23(18,19)6-4-3-5-21-6/h3-5H,2H2,1H3,(H,15,16)
InChIKeyYLZPWPHEJYOTLL-UHFFFAOYSA-N
MW386.40 g/mol
LogP3.20
Rot. Bonds5

About ethyl 2-(thiophen-2-ylsulfonylamino)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate

ethyl 2-(thiophen-2-ylsulfonylamino)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate (PubChem CID 84564229) has the molecular formula C11H9F3N2O4S3 and a molecular weight of 386.40 g/mol. Its IUPAC name is ethyl 2-(thiophen-2-ylsulfonylamino)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-(thiophen-2-ylsulfonylamino)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate
PubChem CID84564229
Molecular FormulaC11H9F3N2O4S3
Molecular Weight386.40 g/mol
Exact Mass385.97
IUPAC Nameethyl 2-(thiophen-2-ylsulfonylamino)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(NS(=O)(=O)c2cccs2)nc1C(F)(F)F
InChIInChI=1S/C11H9F3N2O4S3/c1-2-20-9(17)7-8(11(12,13)14)15-10(22-7)16-23(18,19)6-4-3-5-21-6/h3-5H,2H2,1H3,(H,15,16)
InChIKeyYLZPWPHEJYOTLL-UHFFFAOYSA-N
XLogP3.20
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.40
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 2-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate
CID 84563272
ethyl 2-[[4-(methylsulfonylmethyl)benzoyl]amino]-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate
CID 84562338
ethyl 2-(2,2-dimethylpropanoylamino)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate
CID 84560961
ethyl 2-[[2-(4-chlorophenyl)acetyl]amino]-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate
CID 84558528
ethyl 2-(pentanoylamino)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate
CID 84560761
ethyl 2-(3-methylbutanoylamino)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate
CID 84561176
ethyl 2-[3-(4-methylphenyl)propanoylamino]-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate
CID 84559958
ethyl 1-methyl-5-(thiophen-2-ylsulfonylamino)pyrazole-4-carboxylate
CID 108782501
ethyl 2-(cyclohexanecarbonylamino)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate
CID 84561185
ethyl 2-benzylsulfanyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate
CID 122377273
ethyl 4-[2-(thiophen-2-ylsulfonylamino)-1,3-thiazole-4-carbonyl]piperazine-1-carboxylate
CID 25405160
N-(4,7-dimethyl-1,3-benzothiazol-2-yl)thiophene-2-sulfonamide
CID 16934138

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(thiophen-2-ylsulfonylamino)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 2-(thiophen-2-ylsulfonylamino)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate (CID 84564229) is ethyl 2-(thiophen-2-ylsulfonylamino)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-(thiophen-2-ylsulfonylamino)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-(thiophen-2-ylsulfonylamino)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(NS(=O)(=O)c2cccs2)nc1C(F)(F)F.
What is the InChIKey of ethyl 2-(thiophen-2-ylsulfonylamino)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate?
The InChIKey is YLZPWPHEJYOTLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N2O4S3/c1-2-20-9(17)7-8(11(12,13)14)15-10(22-7)16-23(18,19)6-4-3-5-21-6/h3-5H,2H2,1H3,(H,15,16).
What are the key properties of ethyl 2-(thiophen-2-ylsulfonylamino)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate?
ethyl 2-(thiophen-2-ylsulfonylamino)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate has a molecular weight of 386.40 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(thiophen-2-ylsulfonylamino)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 84564229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).