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

C8H7NO2S2 — CID 171989441

IUPACmethyl 2-methylthieno[2,3-d][1,3]thiazole-6-carboxylate
SMILESCOC(=O)c1csc2nc(C)sc12
InChIInChI=1S/C8H7NO2S2/c1-4-9-7-6(13-4)5(3-12-7)8(10)11-2/h3H,1-2H3
InChIKeyGFQXCVRORZIGJF-UHFFFAOYSA-N
MW213.28 g/mol
LogP2.45
Rot. Bonds1

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

methyl 2-methylthieno[2,3-d][1,3]thiazole-6-carboxylate (PubChem CID 171989441) has the molecular formula C8H7NO2S2 and a molecular weight of 213.28 g/mol. Its IUPAC name is methyl 2-methylthieno[2,3-d][1,3]thiazole-6-carboxylate.

Molecular Properties

Compound Namemethyl 2-methylthieno[2,3-d][1,3]thiazole-6-carboxylate
PubChem CID171989441
Molecular FormulaC8H7NO2S2
Molecular Weight213.28 g/mol
Exact Mass212.99
IUPAC Namemethyl 2-methylthieno[2,3-d][1,3]thiazole-6-carboxylate
SMILESCOC(=O)c1csc2nc(C)sc12
InChIInChI=1S/C8H7NO2S2/c1-4-9-7-6(13-4)5(3-12-7)8(10)11-2/h3H,1-2H3
InChIKeyGFQXCVRORZIGJF-UHFFFAOYSA-N
XLogP2.45
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-methylthieno[2,3-d][1,3]thiazole-6-carboxylate?
The IUPAC name of methyl 2-methylthieno[2,3-d][1,3]thiazole-6-carboxylate (CID 171989441) is methyl 2-methylthieno[2,3-d][1,3]thiazole-6-carboxylate.
What is the SMILES notation for methyl 2-methylthieno[2,3-d][1,3]thiazole-6-carboxylate?
The canonical SMILES for methyl 2-methylthieno[2,3-d][1,3]thiazole-6-carboxylate is COC(=O)c1csc2nc(C)sc12.
What is the InChIKey of methyl 2-methylthieno[2,3-d][1,3]thiazole-6-carboxylate?
The InChIKey is GFQXCVRORZIGJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO2S2/c1-4-9-7-6(13-4)5(3-12-7)8(10)11-2/h3H,1-2H3.
What are the key properties of methyl 2-methylthieno[2,3-d][1,3]thiazole-6-carboxylate?
methyl 2-methylthieno[2,3-d][1,3]thiazole-6-carboxylate has a molecular weight of 213.28 g/mol, XLogP of 2.45, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methylthieno[2,3-d][1,3]thiazole-6-carboxylate is sourced from PubChem (CID 171989441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).