ethyl 2-(2-methyl-3,5-dioxo-1,2,4-thiadiazolidin-4-yl)acetate

C7H10N2O4S — CID 6539175

IUPACethyl 2-(2-methyl-3,5-dioxo-1,2,4-thiadiazolidin-4-yl)acetate
SMILESCCOC(=O)Cn1c(=O)sn(C)c1=O
InChIInChI=1S/C7H10N2O4S/c1-3-13-5(10)4-9-6(11)8(2)14-7(9)12/h3-4H2,1-2H3
InChIKeyPCOFMUGCMQCFEI-UHFFFAOYSA-N
MW218.23 g/mol
LogP-0.83
Rot. Bonds3

About ethyl 2-(2-methyl-3,5-dioxo-1,2,4-thiadiazolidin-4-yl)acetate

ethyl 2-(2-methyl-3,5-dioxo-1,2,4-thiadiazolidin-4-yl)acetate (PubChem CID 6539175) has the molecular formula C7H10N2O4S and a molecular weight of 218.23 g/mol. Its IUPAC name is ethyl 2-(2-methyl-3,5-dioxo-1,2,4-thiadiazolidin-4-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(2-methyl-3,5-dioxo-1,2,4-thiadiazolidin-4-yl)acetate
PubChem CID6539175
Molecular FormulaC7H10N2O4S
Molecular Weight218.23 g/mol
Exact Mass218.04
IUPAC Nameethyl 2-(2-methyl-3,5-dioxo-1,2,4-thiadiazolidin-4-yl)acetate
SMILESCCOC(=O)Cn1c(=O)sn(C)c1=O
InChIInChI=1S/C7H10N2O4S/c1-3-13-5(10)4-9-6(11)8(2)14-7(9)12/h3-4H2,1-2H3
InChIKeyPCOFMUGCMQCFEI-UHFFFAOYSA-N
XLogP-0.83
TPSA70.30 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.23
LogP ≤ 5-0.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

Ethyl 2-[3-(2-ethoxy-2-oxoethyl)-2,4,5-trioxoimidazolidin-1-yl]acetate
CID 90480645
4-(Ethoxycarbonylmethyl)-2-(ethoxycarbonylmethyl)-1,2,4-thiadiazolidine-3,5-dione
CID 11551024
Ethyl 1-methyl-2,4,5-trioxoimidazolidine-3-acetate
CID 15096135
4-(Ethoxycarbonylmethyl)-2-isopropyl-1,2,4-thiadiazolidine-3,5-dione
CID 22507185
4-(Ethoxycarbonylmethyl)-2-ethyl-1,2,4-thiadiazolidine-3,5-dione
CID 22507186
Tert-butyl 2-[2-(2-ethoxy-2-oxoethyl)-3,5-dioxo-1,2,4-thiadiazolidin-4-yl]acetate
CID 142694571
Ethyl 2-[4-[2-(diethylamino)-2-oxoethyl]-3,5-dioxo-1,2,4-thiadiazolidin-2-yl]acetate
CID 142694573
Ethyl 2-(3,5-dioxo-1,2,4-thiadiazolidin-2-yl)acetate
CID 143220619
Ethyl 2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetate
CID 28825420

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-methyl-3,5-dioxo-1,2,4-thiadiazolidin-4-yl)acetate?
The IUPAC name of ethyl 2-(2-methyl-3,5-dioxo-1,2,4-thiadiazolidin-4-yl)acetate (CID 6539175) is ethyl 2-(2-methyl-3,5-dioxo-1,2,4-thiadiazolidin-4-yl)acetate.
What is the SMILES notation for ethyl 2-(2-methyl-3,5-dioxo-1,2,4-thiadiazolidin-4-yl)acetate?
The canonical SMILES for ethyl 2-(2-methyl-3,5-dioxo-1,2,4-thiadiazolidin-4-yl)acetate is CCOC(=O)Cn1c(=O)sn(C)c1=O.
What is the InChIKey of ethyl 2-(2-methyl-3,5-dioxo-1,2,4-thiadiazolidin-4-yl)acetate?
The InChIKey is PCOFMUGCMQCFEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O4S/c1-3-13-5(10)4-9-6(11)8(2)14-7(9)12/h3-4H2,1-2H3.
What are the key properties of ethyl 2-(2-methyl-3,5-dioxo-1,2,4-thiadiazolidin-4-yl)acetate?
ethyl 2-(2-methyl-3,5-dioxo-1,2,4-thiadiazolidin-4-yl)acetate has a molecular weight of 218.23 g/mol, XLogP of -0.83, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-methyl-3,5-dioxo-1,2,4-thiadiazolidin-4-yl)acetate is sourced from PubChem (CID 6539175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).