ethyl 2-[2-[[4-(trifluoromethyl)phenyl]sulfonylamino]-1,3-thiazol-4-yl]acetate

C14H13F3N2O4S2 — CID 2814007

IUPACethyl 2-[2-[[4-(trifluoromethyl)phenyl]sulfonylamino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C14H13F3N2O4S2/c1-2-23-12(20)7-10-8-24-13(18-10)19-25(21,22)11-5-3-9(4-6-11)14(15,16)17/h3-6,8H,2,7H2,1H3,(H,18,19)
InChIKeyZODUISOKTTXHTP-UHFFFAOYSA-N
MW394.40 g/mol
LogP3.07
Rot. Bonds6

About ethyl 2-[2-[[4-(trifluoromethyl)phenyl]sulfonylamino]-1,3-thiazol-4-yl]acetate

ethyl 2-[2-[[4-(trifluoromethyl)phenyl]sulfonylamino]-1,3-thiazol-4-yl]acetate (PubChem CID 2814007) has the molecular formula C14H13F3N2O4S2 and a molecular weight of 394.40 g/mol. Its IUPAC name is ethyl 2-[2-[[4-(trifluoromethyl)phenyl]sulfonylamino]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[[4-(trifluoromethyl)phenyl]sulfonylamino]-1,3-thiazol-4-yl]acetate
PubChem CID2814007
Molecular FormulaC14H13F3N2O4S2
Molecular Weight394.40 g/mol
Exact Mass394.03
IUPAC Nameethyl 2-[2-[[4-(trifluoromethyl)phenyl]sulfonylamino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C14H13F3N2O4S2/c1-2-23-12(20)7-10-8-24-13(18-10)19-25(21,22)11-5-3-9(4-6-11)14(15,16)17/h3-6,8H,2,7H2,1H3,(H,18,19)
InChIKeyZODUISOKTTXHTP-UHFFFAOYSA-N
XLogP3.07
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.40
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Ethyl (2-{[(4-fluorophenyl)sulfonyl]amino}-1,3-thiazol-4-yl)acetate
CID 717529
Ethyl (2-{[(4-bromophenyl)sulfonyl]amino}-1,3-thiazol-4-yl)acetate
CID 1346454
Ethyl {2-[(benzylsulfonyl)amino]-1,3-thiazol-4-yl}acetate
CID 787285
[2-(4-Chloro-benzenesulfonylamino)-thiazol-4-yl]-acetic acid ethyl ester
CID 1101318
ethyl 2-[2-[[(E)-N-(2,4-difluorophenyl)sulfonyl-C-phenylcarbonimidoyl]amino]-1,3-thiazol-4-yl]acetate
CID 5675017
Ethyl {2-[(2-naphthylsulfonyl)amino]-1,3-thiazol-4-yl}acetate
CID 1101317
Ethyl {2-[(phenylsulfonyl)amino]-1,3-thiazol-4-yl}acetate
CID 717505
Ethyl (2-{[(benzylsulfonyl)acetyl]amino}-1,3-thiazol-4-yl)acetate
CID 1094090
Ethyl (2-{[3-(benzylsulfonyl)propanoyl]amino}-1,3-thiazol-4-yl)acetate
CID 2229763
Ethyl [2-({[(E)-2-phenylethenyl]sulfonyl}amino)-1,3-thiazol-4-yl]acetate
CID 9924641
Ethyl (2-{[(4-bromo-2-methylphenyl)sulfonyl]amino}-1,3-thiazol-4-yl)acetate
CID 10180344
Ethyl [2-({[4-(methylthio)phenyl]sulfonyl}amino)-1,3-thiazol-4-yl]acetate
CID 1250173

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[[4-(trifluoromethyl)phenyl]sulfonylamino]-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-[[4-(trifluoromethyl)phenyl]sulfonylamino]-1,3-thiazol-4-yl]acetate (CID 2814007) is ethyl 2-[2-[[4-(trifluoromethyl)phenyl]sulfonylamino]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-[[4-(trifluoromethyl)phenyl]sulfonylamino]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-[[4-(trifluoromethyl)phenyl]sulfonylamino]-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2)n1.
What is the InChIKey of ethyl 2-[2-[[4-(trifluoromethyl)phenyl]sulfonylamino]-1,3-thiazol-4-yl]acetate?
The InChIKey is ZODUISOKTTXHTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N2O4S2/c1-2-23-12(20)7-10-8-24-13(18-10)19-25(21,22)11-5-3-9(4-6-11)14(15,16)17/h3-6,8H,2,7H2,1H3,(H,18,19).
What are the key properties of ethyl 2-[2-[[4-(trifluoromethyl)phenyl]sulfonylamino]-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-[[4-(trifluoromethyl)phenyl]sulfonylamino]-1,3-thiazol-4-yl]acetate has a molecular weight of 394.40 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[[4-(trifluoromethyl)phenyl]sulfonylamino]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 2814007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).