ethyl 3-methyl-1,1-dioxo-2,3-dihydrothieno[3,2-d][1,2]thiazole-5-carboxylate

C9H11NO4S2 — CID 170340720

IUPACethyl 3-methyl-1,1-dioxo-2,3-dihydrothieno[3,2-d][1,2]thiazole-5-carboxylate
SMILESCCOC(=O)c1cc2c(s1)S(=O)(=O)NC2C
InChIInChI=1S/C9H11NO4S2/c1-3-14-8(11)7-4-6-5(2)10-16(12,13)9(6)15-7/h4-5,10H,3H2,1-2H3
InChIKeySRMNLVXBDJDOMU-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.28
Rot. Bonds2

About ethyl 3-methyl-1,1-dioxo-2,3-dihydrothieno[3,2-d][1,2]thiazole-5-carboxylate

ethyl 3-methyl-1,1-dioxo-2,3-dihydrothieno[3,2-d][1,2]thiazole-5-carboxylate (PubChem CID 170340720) has the molecular formula C9H11NO4S2 and a molecular weight of 261.32 g/mol. Its IUPAC name is ethyl 3-methyl-1,1-dioxo-2,3-dihydrothieno[3,2-d][1,2]thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 3-methyl-1,1-dioxo-2,3-dihydrothieno[3,2-d][1,2]thiazole-5-carboxylate
PubChem CID170340720
Molecular FormulaC9H11NO4S2
Molecular Weight261.32 g/mol
Exact Mass261.01
IUPAC Nameethyl 3-methyl-1,1-dioxo-2,3-dihydrothieno[3,2-d][1,2]thiazole-5-carboxylate
SMILESCCOC(=O)c1cc2c(s1)S(=O)(=O)NC2C
InChIInChI=1S/C9H11NO4S2/c1-3-14-8(11)7-4-6-5(2)10-16(12,13)9(6)15-7/h4-5,10H,3H2,1-2H3
InChIKeySRMNLVXBDJDOMU-UHFFFAOYSA-N
XLogP1.28
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-methyl-1,1-dioxo-2,3-dihydrothieno[3,2-d][1,2]thiazole-5-carboxylate?
The IUPAC name of ethyl 3-methyl-1,1-dioxo-2,3-dihydrothieno[3,2-d][1,2]thiazole-5-carboxylate (CID 170340720) is ethyl 3-methyl-1,1-dioxo-2,3-dihydrothieno[3,2-d][1,2]thiazole-5-carboxylate.
What is the SMILES notation for ethyl 3-methyl-1,1-dioxo-2,3-dihydrothieno[3,2-d][1,2]thiazole-5-carboxylate?
The canonical SMILES for ethyl 3-methyl-1,1-dioxo-2,3-dihydrothieno[3,2-d][1,2]thiazole-5-carboxylate is CCOC(=O)c1cc2c(s1)S(=O)(=O)NC2C.
What is the InChIKey of ethyl 3-methyl-1,1-dioxo-2,3-dihydrothieno[3,2-d][1,2]thiazole-5-carboxylate?
The InChIKey is SRMNLVXBDJDOMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO4S2/c1-3-14-8(11)7-4-6-5(2)10-16(12,13)9(6)15-7/h4-5,10H,3H2,1-2H3.
What are the key properties of ethyl 3-methyl-1,1-dioxo-2,3-dihydrothieno[3,2-d][1,2]thiazole-5-carboxylate?
ethyl 3-methyl-1,1-dioxo-2,3-dihydrothieno[3,2-d][1,2]thiazole-5-carboxylate has a molecular weight of 261.32 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-methyl-1,1-dioxo-2,3-dihydrothieno[3,2-d][1,2]thiazole-5-carboxylate is sourced from PubChem (CID 170340720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).