methyl 2-pyrrolidin-1-ylthieno[2,3-d][1,3]thiazole-6-carboxylate

C11H12N2O2S2 — CID 91824680

IUPACmethyl 2-pyrrolidin-1-ylthieno[2,3-d][1,3]thiazole-6-carboxylate
SMILESCOC(=O)c1csc2nc(N3CCCC3)sc12
InChIInChI=1S/C11H12N2O2S2/c1-15-10(14)7-6-16-9-8(7)17-11(12-9)13-4-2-3-5-13/h6H,2-5H2,1H3
InChIKeyCFBZLXYHQUGFCY-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.74
Rot. Bonds2

About methyl 2-pyrrolidin-1-ylthieno[2,3-d][1,3]thiazole-6-carboxylate

methyl 2-pyrrolidin-1-ylthieno[2,3-d][1,3]thiazole-6-carboxylate (PubChem CID 91824680) has the molecular formula C11H12N2O2S2 and a molecular weight of 268.36 g/mol. Its IUPAC name is methyl 2-pyrrolidin-1-ylthieno[2,3-d][1,3]thiazole-6-carboxylate.

Molecular Properties

Compound Namemethyl 2-pyrrolidin-1-ylthieno[2,3-d][1,3]thiazole-6-carboxylate
PubChem CID91824680
Molecular FormulaC11H12N2O2S2
Molecular Weight268.36 g/mol
Exact Mass268.03
IUPAC Namemethyl 2-pyrrolidin-1-ylthieno[2,3-d][1,3]thiazole-6-carboxylate
SMILESCOC(=O)c1csc2nc(N3CCCC3)sc12
InChIInChI=1S/C11H12N2O2S2/c1-15-10(14)7-6-16-9-8(7)17-11(12-9)13-4-2-3-5-13/h6H,2-5H2,1H3
InChIKeyCFBZLXYHQUGFCY-UHFFFAOYSA-N
XLogP2.74
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-pyrrolidin-1-ylthieno[2,3-d][1,3]thiazole-6-carboxylate?
The IUPAC name of methyl 2-pyrrolidin-1-ylthieno[2,3-d][1,3]thiazole-6-carboxylate (CID 91824680) is methyl 2-pyrrolidin-1-ylthieno[2,3-d][1,3]thiazole-6-carboxylate.
What is the SMILES notation for methyl 2-pyrrolidin-1-ylthieno[2,3-d][1,3]thiazole-6-carboxylate?
The canonical SMILES for methyl 2-pyrrolidin-1-ylthieno[2,3-d][1,3]thiazole-6-carboxylate is COC(=O)c1csc2nc(N3CCCC3)sc12.
What is the InChIKey of methyl 2-pyrrolidin-1-ylthieno[2,3-d][1,3]thiazole-6-carboxylate?
The InChIKey is CFBZLXYHQUGFCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2S2/c1-15-10(14)7-6-16-9-8(7)17-11(12-9)13-4-2-3-5-13/h6H,2-5H2,1H3.
What are the key properties of methyl 2-pyrrolidin-1-ylthieno[2,3-d][1,3]thiazole-6-carboxylate?
methyl 2-pyrrolidin-1-ylthieno[2,3-d][1,3]thiazole-6-carboxylate has a molecular weight of 268.36 g/mol, XLogP of 2.74, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-pyrrolidin-1-ylthieno[2,3-d][1,3]thiazole-6-carboxylate is sourced from PubChem (CID 91824680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).