methyl 2-(7-fluoro-2-methyl-[1,3]thiazolo[5,4-b]indol-4-yl)acetate

C13H11FN2O2S — CID 666834

IUPACmethyl 2-(7-fluoro-2-methyl-[1,3]thiazolo[5,4-b]indol-4-yl)acetate
SMILESCOC(=O)Cn1c2ccc(F)cc2c2nc(C)sc21
InChIInChI=1S/C13H11FN2O2S/c1-7-15-12-9-5-8(14)3-4-10(9)16(13(12)19-7)6-11(17)18-2/h3-5H,6H2,1-2H3
InChIKeyKJGHSQXWZQISEQ-UHFFFAOYSA-N
MW278.31 g/mol
LogP2.87
Rot. Bonds2

About methyl 2-(7-fluoro-2-methyl-[1,3]thiazolo[5,4-b]indol-4-yl)acetate

methyl 2-(7-fluoro-2-methyl-[1,3]thiazolo[5,4-b]indol-4-yl)acetate (PubChem CID 666834) has the molecular formula C13H11FN2O2S and a molecular weight of 278.31 g/mol. Its IUPAC name is methyl 2-(7-fluoro-2-methyl-[1,3]thiazolo[5,4-b]indol-4-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(7-fluoro-2-methyl-[1,3]thiazolo[5,4-b]indol-4-yl)acetate
PubChem CID666834
Molecular FormulaC13H11FN2O2S
Molecular Weight278.31 g/mol
Exact Mass278.05
IUPAC Namemethyl 2-(7-fluoro-2-methyl-[1,3]thiazolo[5,4-b]indol-4-yl)acetate
SMILESCOC(=O)Cn1c2ccc(F)cc2c2nc(C)sc21
InChIInChI=1S/C13H11FN2O2S/c1-7-15-12-9-5-8(14)3-4-10(9)16(13(12)19-7)6-11(17)18-2/h3-5H,6H2,1-2H3
InChIKeyKJGHSQXWZQISEQ-UHFFFAOYSA-N
XLogP2.87
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-{2-phenyl-3-[(4,5,7-trifluoro-1,3-benzothiazol-2-yl)methyl]-1H-indol-1-yl}acetic acid
CID 9868478
2-{2-methyl-3-[(4,5,7-trifluoro-1,3-benzothiazol-2-yl)methyl]-1H-indol-1-yl}acetic acid
CID 9930308
Methyl 2-(7-chloro-2-methyl-[1,3]thiazolo[5,4-b]indol-4-yl)acetate
CID 1974932
N,N-diethyl-2-(2-methyl-[1,3]thiazolo[5,4-b]indol-4-yl)ethanamine
CID 664312
4,7-diethyl-2-methyl-4H-[1,3]thiazolo[5,4-b]indole
CID 664372
methyl (2-methyl-4H-[1,3]thiazolo[5,4-b]indol-4-yl)acetate
CID 953929
2-[3-(1,3-Benzothiazol-2-ylmethyl)-5-fluoro-2-methylindol-1-yl]acetic acid
CID 11187351
Ethyl 2-(7-fluoro-2-methyl-[1,3]thiazolo[5,4-b]indol-4-yl)acetate
CID 1837768
4-Benzyl-7-fluoro-2-methyl-4H-thiazolo[5,4-b]indole
CID 2039005
Diethyl-[2-(7-fluoro-2-methyl-thiazolo[5,4-b]indol-4-yl)-ethyl]-amine
CID 2996931
7-fluoro-2-methyl-4-(2-(piperidin-1-yl)ethyl)-4H-thiazolo[5,4-b]indole hydrochloride
CID 16187650
Ethyl 2-(2,7-dimethyl-[1,3]thiazolo[5,4-b]indol-4-yl)acetate
CID 1871899

Frequently Asked Questions

What is the IUPAC name of methyl 2-(7-fluoro-2-methyl-[1,3]thiazolo[5,4-b]indol-4-yl)acetate?
The IUPAC name of methyl 2-(7-fluoro-2-methyl-[1,3]thiazolo[5,4-b]indol-4-yl)acetate (CID 666834) is methyl 2-(7-fluoro-2-methyl-[1,3]thiazolo[5,4-b]indol-4-yl)acetate.
What is the SMILES notation for methyl 2-(7-fluoro-2-methyl-[1,3]thiazolo[5,4-b]indol-4-yl)acetate?
The canonical SMILES for methyl 2-(7-fluoro-2-methyl-[1,3]thiazolo[5,4-b]indol-4-yl)acetate is COC(=O)Cn1c2ccc(F)cc2c2nc(C)sc21.
What is the InChIKey of methyl 2-(7-fluoro-2-methyl-[1,3]thiazolo[5,4-b]indol-4-yl)acetate?
The InChIKey is KJGHSQXWZQISEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2O2S/c1-7-15-12-9-5-8(14)3-4-10(9)16(13(12)19-7)6-11(17)18-2/h3-5H,6H2,1-2H3.
What are the key properties of methyl 2-(7-fluoro-2-methyl-[1,3]thiazolo[5,4-b]indol-4-yl)acetate?
methyl 2-(7-fluoro-2-methyl-[1,3]thiazolo[5,4-b]indol-4-yl)acetate has a molecular weight of 278.31 g/mol, XLogP of 2.87, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(7-fluoro-2-methyl-[1,3]thiazolo[5,4-b]indol-4-yl)acetate is sourced from PubChem (CID 666834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).