ethyl 2-[2-(difluoromethylsulfonylamino)-1,3-thiazol-4-yl]acetate

C8H10F2N2O4S2 — CID 43624476

IUPACethyl 2-[2-(difluoromethylsulfonylamino)-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NS(=O)(=O)C(F)F)n1
InChIInChI=1S/C8H10F2N2O4S2/c1-2-16-6(13)3-5-4-17-8(11-5)12-18(14,15)7(9)10/h4,7H,2-3H2,1H3,(H,11,12)
InChIKeyFTOKKHOISPBKBJ-UHFFFAOYSA-N
MW300.31 g/mol
LogP1.21
Rot. Bonds6

About ethyl 2-[2-(difluoromethylsulfonylamino)-1,3-thiazol-4-yl]acetate

ethyl 2-[2-(difluoromethylsulfonylamino)-1,3-thiazol-4-yl]acetate (PubChem CID 43624476) has the molecular formula C8H10F2N2O4S2 and a molecular weight of 300.31 g/mol. Its IUPAC name is ethyl 2-[2-(difluoromethylsulfonylamino)-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-(difluoromethylsulfonylamino)-1,3-thiazol-4-yl]acetate
PubChem CID43624476
Molecular FormulaC8H10F2N2O4S2
Molecular Weight300.31 g/mol
Exact Mass300.01
IUPAC Nameethyl 2-[2-(difluoromethylsulfonylamino)-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NS(=O)(=O)C(F)F)n1
InChIInChI=1S/C8H10F2N2O4S2/c1-2-16-6(13)3-5-4-17-8(11-5)12-18(14,15)7(9)10/h4,7H,2-3H2,1H3,(H,11,12)
InChIKeyFTOKKHOISPBKBJ-UHFFFAOYSA-N
XLogP1.21
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

sodium N-[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]sulfamate
CID 174221224
ethyl 2-[2-[(2-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetate
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ethyl 2-(2-acetamido-1,3-thiazol-4-yl)acetate
CID 3477732
ethyl 2-[2-(4-methylpentan-2-ylamino)-1,3-thiazol-4-yl]acetate
CID 80574798
ethyl 2-[2-[(3-bromothiophen-2-yl)sulfonylamino]-1,3-thiazol-4-yl]acetate
CID 61456143
ethyl 2-[2-[[(2S)-2-aminopropanoyl]amino]-1,3-thiazol-4-yl]acetate
CID 129010827
ethyl 2-[2-(4-methylpentylamino)-1,3-thiazol-4-yl]acetate
CID 80576900
ethyl 2-[2-[(2-methoxy-2-oxoethyl)amino]-1,3-thiazol-4-yl]acetate
CID 80575326
ethyl 2-[2-(3-ethylpentan-3-ylamino)-1,3-thiazol-4-yl]acetate
CID 80576123
ethyl 3-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]propanoate
CID 80575297
ethyl 2-[2-(carbamothioylamino)-1,3-thiazol-4-yl]acetate
CID 16637409
ethyl 2-[2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-1,3-thiazol-4-yl]acetate
CID 10294454

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(difluoromethylsulfonylamino)-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-(difluoromethylsulfonylamino)-1,3-thiazol-4-yl]acetate (CID 43624476) is ethyl 2-[2-(difluoromethylsulfonylamino)-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-(difluoromethylsulfonylamino)-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-(difluoromethylsulfonylamino)-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(NS(=O)(=O)C(F)F)n1.
What is the InChIKey of ethyl 2-[2-(difluoromethylsulfonylamino)-1,3-thiazol-4-yl]acetate?
The InChIKey is FTOKKHOISPBKBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F2N2O4S2/c1-2-16-6(13)3-5-4-17-8(11-5)12-18(14,15)7(9)10/h4,7H,2-3H2,1H3,(H,11,12).
What are the key properties of ethyl 2-[2-(difluoromethylsulfonylamino)-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-(difluoromethylsulfonylamino)-1,3-thiazol-4-yl]acetate has a molecular weight of 300.31 g/mol, XLogP of 1.21, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(difluoromethylsulfonylamino)-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 43624476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).