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

C14H22N2O4S2 — CID 138673952

IUPACethyl 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-ethylbutanoate
SMILESCCOC(=O)C(CC)(CC)c1csc(NS(=O)(=O)C2CC2)n1
InChIInChI=1S/C14H22N2O4S2/c1-4-14(5-2,12(17)20-6-3)11-9-21-13(15-11)16-22(18,19)10-7-8-10/h9-10H,4-8H2,1-3H3,(H,15,16)
InChIKeyWLCVGUBQEDJLMR-UHFFFAOYSA-N
MW346.47 g/mol
LogP2.67
Rot. Bonds8

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

ethyl 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-ethylbutanoate (PubChem CID 138673952) has the molecular formula C14H22N2O4S2 and a molecular weight of 346.47 g/mol. Its IUPAC name is ethyl 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-ethylbutanoate.

Molecular Properties

Compound Nameethyl 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-ethylbutanoate
PubChem CID138673952
Molecular FormulaC14H22N2O4S2
Molecular Weight346.47 g/mol
Exact Mass346.10
IUPAC Nameethyl 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-ethylbutanoate
SMILESCCOC(=O)C(CC)(CC)c1csc(NS(=O)(=O)C2CC2)n1
InChIInChI=1S/C14H22N2O4S2/c1-4-14(5-2,12(17)20-6-3)11-9-21-13(15-11)16-22(18,19)10-7-8-10/h9-10H,4-8H2,1-3H3,(H,15,16)
InChIKeyWLCVGUBQEDJLMR-UHFFFAOYSA-N
XLogP2.67
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Ethyl 2-methanesulfonamidothiazol-4-ylacetate
CID 3145078
Ethyl 2-(2-amino-1,3-thiazol-4-yl)-2-methylpropanoate
CID 83668651
Methyl 2-methyl-2-[2-(trifluoromethylsulfonylamino)-1,3-thiazol-4-yl]propanoate
CID 138673481
Ethyl 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2,2-difluoroacetate
CID 138673749
Ethyl 1-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-4-(difluoromethylidene)cyclohexane-1-carboxylate
CID 178959109
Ethyl 2-[2-(trifluoromethylsulfonylamino)-1,3-thiazol-4-yl]acetate
CID 43624466
Ethyl 2-[2-(difluoromethylsulfonylamino)-1,3-thiazol-4-yl]acetate
CID 43624476
Methyl 2-(2-(methylsulfonamido)thiazol-4-yl)acetate
CID 17571582
Ethyl (2-imino-4-thiazolin-4-yl)-2-sulfoacetate
CID 18801992
ethyl (2E)-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]-2-methoxyiminoacetate
CID 18935573
Ethyl 2-(2-propanesulfonylamino-1,3-thiazol-4-yl)acetate
CID 20254391
Ethyl 2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]-2-methoxyiminoacetate
CID 54146823

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-ethylbutanoate?
The IUPAC name of ethyl 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-ethylbutanoate (CID 138673952) is ethyl 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-ethylbutanoate.
What is the SMILES notation for ethyl 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-ethylbutanoate?
The canonical SMILES for ethyl 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-ethylbutanoate is CCOC(=O)C(CC)(CC)c1csc(NS(=O)(=O)C2CC2)n1.
What is the InChIKey of ethyl 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-ethylbutanoate?
The InChIKey is WLCVGUBQEDJLMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4S2/c1-4-14(5-2,12(17)20-6-3)11-9-21-13(15-11)16-22(18,19)10-7-8-10/h9-10H,4-8H2,1-3H3,(H,15,16).
What are the key properties of ethyl 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-ethylbutanoate?
ethyl 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-ethylbutanoate has a molecular weight of 346.47 g/mol, XLogP of 2.67, 8 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-ethylbutanoate is sourced from PubChem (CID 138673952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).