ethyl 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2,2-difluoroacetate

C10H12F2N2O4S2 — CID 138673749

IUPACethyl 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2,2-difluoroacetate
SMILESCCOC(=O)C(F)(F)c1csc(NS(=O)(=O)C2CC2)n1
InChIInChI=1S/C10H12F2N2O4S2/c1-2-18-8(15)10(11,12)7-5-19-9(13-7)14-20(16,17)6-3-4-6/h5-6H,2-4H2,1H3,(H,13,14)
InChIKeyWEKYQNWNZKIGKD-UHFFFAOYSA-N
MW326.35 g/mol
LogP1.70
Rot. Bonds6

About ethyl 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2,2-difluoroacetate

ethyl 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2,2-difluoroacetate (PubChem CID 138673749) has the molecular formula C10H12F2N2O4S2 and a molecular weight of 326.35 g/mol. Its IUPAC name is ethyl 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2,2-difluoroacetate.

Molecular Properties

Compound Nameethyl 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2,2-difluoroacetate
PubChem CID138673749
Molecular FormulaC10H12F2N2O4S2
Molecular Weight326.35 g/mol
Exact Mass326.02
IUPAC Nameethyl 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2,2-difluoroacetate
SMILESCCOC(=O)C(F)(F)c1csc(NS(=O)(=O)C2CC2)n1
InChIInChI=1S/C10H12F2N2O4S2/c1-2-18-8(15)10(11,12)7-5-19-9(13-7)14-20(16,17)6-3-4-6/h5-6H,2-4H2,1H3,(H,13,14)
InChIKeyWEKYQNWNZKIGKD-UHFFFAOYSA-N
XLogP1.70
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2,2-difluoroacetate?
The IUPAC name of ethyl 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2,2-difluoroacetate (CID 138673749) is ethyl 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2,2-difluoroacetate.
What is the SMILES notation for ethyl 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2,2-difluoroacetate?
The canonical SMILES for ethyl 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2,2-difluoroacetate is CCOC(=O)C(F)(F)c1csc(NS(=O)(=O)C2CC2)n1.
What is the InChIKey of ethyl 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2,2-difluoroacetate?
The InChIKey is WEKYQNWNZKIGKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2N2O4S2/c1-2-18-8(15)10(11,12)7-5-19-9(13-7)14-20(16,17)6-3-4-6/h5-6H,2-4H2,1H3,(H,13,14).
What are the key properties of ethyl 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2,2-difluoroacetate?
ethyl 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2,2-difluoroacetate has a molecular weight of 326.35 g/mol, XLogP of 1.70, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2,2-difluoroacetate is sourced from PubChem (CID 138673749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).