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

C14H13F3N2O5S2 — CID 10112220

IUPACethyl 2-[2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)n1
InChIInChI=1S/C14H13F3N2O5S2/c1-2-23-12(20)7-9-8-25-13(18-9)19-26(21,22)11-5-3-10(4-6-11)24-14(15,16)17/h3-6,8H,2,7H2,1H3,(H,18,19)
InChIKeyAXHPKOPJFWOGEG-UHFFFAOYSA-N
MW410.40 g/mol
LogP2.95
Rot. Bonds7

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

ethyl 2-[2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]-1,3-thiazol-4-yl]acetate (PubChem CID 10112220) has the molecular formula C14H13F3N2O5S2 and a molecular weight of 410.40 g/mol. Its IUPAC name is ethyl 2-[2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]-1,3-thiazol-4-yl]acetate
PubChem CID10112220
Molecular FormulaC14H13F3N2O5S2
Molecular Weight410.40 g/mol
Exact Mass410.02
IUPAC Nameethyl 2-[2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)n1
InChIInChI=1S/C14H13F3N2O5S2/c1-2-23-12(20)7-9-8-25-13(18-9)19-26(21,22)11-5-3-10(4-6-11)24-14(15,16)17/h3-6,8H,2,7H2,1H3,(H,18,19)
InChIKeyAXHPKOPJFWOGEG-UHFFFAOYSA-N
XLogP2.95
TPSA94.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.40
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

Ethyl (2-{[(4-methoxyphenyl)sulfonyl]amino}-1,3-thiazol-4-yl)acetate
CID 1147609
4-methoxy-N-(4-(trifluoromethyl)thiazol-2-yl)benzenesulfonamide
CID 656127
2-[2-[[2-Methyl-4-(trifluoromethoxy)phenyl]sulfonylamino]-1,3-thiazol-4-yl]acetic acid
CID 87546121
Ethyl 2-[2-[(2,4-difluorophenyl)sulfonylamino]-1,3-thiazol-4-yl]acetate
CID 2799592
N-(4-methyl-1,3-thiazol-2-yl)-4-(trifluoromethoxy)benzenesulfonamide
CID 17018949
Ethyl 2-[2-(2,3-dihydro-1-benzofuran-5-ylsulfonylamino)-1,3-thiazol-4-yl]acetate
CID 2810603
3-(2-{[(4-Methoxyphenyl)sulfonyl]amino}-1,3-thiazol-4-yl)propanoic acid
CID 33679661
N-(4-methylthiazol-2-yl)-2-phenoxyethanesulfonamide
CID 56764848
Ethyl 2-(2-(2-(4-ethylphenoxy)ethylsulfonamido)thiazol-4-yl)acetate
CID 56764892
Methyl 2-[5-methyl-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]-1,3-thiazol-4-yl]acetate
CID 2809822
Ethyl 2-(2-(2-(4-fluorophenoxy)ethylsulfonamido)thiazol-4-yl)acetate
CID 56764878
N-[3-(2-Amino-1,3-thiazol-4-YL)propyl]-3-fluoro-4-methoxybenzenesulfonamide
CID 129619986

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]-1,3-thiazol-4-yl]acetate (CID 10112220) is ethyl 2-[2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)n1.
What is the InChIKey of ethyl 2-[2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]-1,3-thiazol-4-yl]acetate?
The InChIKey is AXHPKOPJFWOGEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N2O5S2/c1-2-23-12(20)7-9-8-25-13(18-9)19-26(21,22)11-5-3-10(4-6-11)24-14(15,16)17/h3-6,8H,2,7H2,1H3,(H,18,19).
What are the key properties of ethyl 2-[2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]-1,3-thiazol-4-yl]acetate has a molecular weight of 410.40 g/mol, XLogP of 2.95, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 10112220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).