methyl 2-(2-methyl-[1,3]thiazolo[5,4-b]indol-4-yl)acetate

C13H12N2O2S — CID 953929

IUPACmethyl 2-(2-methyl-[1,3]thiazolo[5,4-b]indol-4-yl)acetate
SMILESCOC(=O)Cn1c2ccccc2c2nc(C)sc21
InChIInChI=1S/C13H12N2O2S/c1-8-14-12-9-5-3-4-6-10(9)15(13(12)18-8)7-11(16)17-2/h3-6H,7H2,1-2H3
InChIKeyKXUDHKIQZOTUBV-UHFFFAOYSA-N
MW260.32 g/mol
LogP2.73
Rot. Bonds2

About methyl 2-(2-methyl-[1,3]thiazolo[5,4-b]indol-4-yl)acetate

methyl 2-(2-methyl-[1,3]thiazolo[5,4-b]indol-4-yl)acetate (PubChem CID 953929) has the molecular formula C13H12N2O2S and a molecular weight of 260.32 g/mol. Its IUPAC name is methyl 2-(2-methyl-[1,3]thiazolo[5,4-b]indol-4-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(2-methyl-[1,3]thiazolo[5,4-b]indol-4-yl)acetate
PubChem CID953929
Molecular FormulaC13H12N2O2S
Molecular Weight260.32 g/mol
Exact Mass260.06
IUPAC Namemethyl 2-(2-methyl-[1,3]thiazolo[5,4-b]indol-4-yl)acetate
SMILESCOC(=O)Cn1c2ccccc2c2nc(C)sc21
InChIInChI=1S/C13H12N2O2S/c1-8-14-12-9-5-3-4-6-10(9)15(13(12)18-8)7-11(16)17-2/h3-6H,7H2,1-2H3
InChIKeyKXUDHKIQZOTUBV-UHFFFAOYSA-N
XLogP2.73
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-methyl-[1,3]thiazolo[5,4-b]indol-4-yl)acetate?
The IUPAC name of methyl 2-(2-methyl-[1,3]thiazolo[5,4-b]indol-4-yl)acetate (CID 953929) is methyl 2-(2-methyl-[1,3]thiazolo[5,4-b]indol-4-yl)acetate.
What is the SMILES notation for methyl 2-(2-methyl-[1,3]thiazolo[5,4-b]indol-4-yl)acetate?
The canonical SMILES for methyl 2-(2-methyl-[1,3]thiazolo[5,4-b]indol-4-yl)acetate is COC(=O)Cn1c2ccccc2c2nc(C)sc21.
What is the InChIKey of methyl 2-(2-methyl-[1,3]thiazolo[5,4-b]indol-4-yl)acetate?
The InChIKey is KXUDHKIQZOTUBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2S/c1-8-14-12-9-5-3-4-6-10(9)15(13(12)18-8)7-11(16)17-2/h3-6H,7H2,1-2H3.
What are the key properties of methyl 2-(2-methyl-[1,3]thiazolo[5,4-b]indol-4-yl)acetate?
methyl 2-(2-methyl-[1,3]thiazolo[5,4-b]indol-4-yl)acetate has a molecular weight of 260.32 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-methyl-[1,3]thiazolo[5,4-b]indol-4-yl)acetate is sourced from PubChem (CID 953929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).