7-fluoro-2,4-dimethyl-[1,3]thiazolo[5,4-b]indole

C11H9FN2S — CID 940804

IUPAC7-fluoro-2,4-dimethyl-[1,3]thiazolo[5,4-b]indole
SMILESCc1nc2c3cc(F)ccc3n(C)c2s1
InChIInChI=1S/C11H9FN2S/c1-6-13-10-8-5-7(12)3-4-9(8)14(2)11(10)15-6/h3-5H,1-2H3
InChIKeyFSIQIMRTFNXBAL-UHFFFAOYSA-N
MW220.27 g/mol
LogP3.24
Rot. Bonds

About 7-fluoro-2,4-dimethyl-[1,3]thiazolo[5,4-b]indole

7-fluoro-2,4-dimethyl-[1,3]thiazolo[5,4-b]indole (PubChem CID 940804) has the molecular formula C11H9FN2S and a molecular weight of 220.27 g/mol. Its IUPAC name is 7-fluoro-2,4-dimethyl-[1,3]thiazolo[5,4-b]indole.

Molecular Properties

Compound Name7-fluoro-2,4-dimethyl-[1,3]thiazolo[5,4-b]indole
PubChem CID940804
Molecular FormulaC11H9FN2S
Molecular Weight220.27 g/mol
Exact Mass220.05
IUPAC Name7-fluoro-2,4-dimethyl-[1,3]thiazolo[5,4-b]indole
SMILESCc1nc2c3cc(F)ccc3n(C)c2s1
InChIInChI=1S/C11H9FN2S/c1-6-13-10-8-5-7(12)3-4-9(8)14(2)11(10)15-6/h3-5H,1-2H3
InChIKeyFSIQIMRTFNXBAL-UHFFFAOYSA-N
XLogP3.24
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-2,4-dimethyl-[1,3]thiazolo[5,4-b]indole?
The IUPAC name of 7-fluoro-2,4-dimethyl-[1,3]thiazolo[5,4-b]indole (CID 940804) is 7-fluoro-2,4-dimethyl-[1,3]thiazolo[5,4-b]indole.
What is the SMILES notation for 7-fluoro-2,4-dimethyl-[1,3]thiazolo[5,4-b]indole?
The canonical SMILES for 7-fluoro-2,4-dimethyl-[1,3]thiazolo[5,4-b]indole is Cc1nc2c3cc(F)ccc3n(C)c2s1.
What is the InChIKey of 7-fluoro-2,4-dimethyl-[1,3]thiazolo[5,4-b]indole?
The InChIKey is FSIQIMRTFNXBAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2S/c1-6-13-10-8-5-7(12)3-4-9(8)14(2)11(10)15-6/h3-5H,1-2H3.
What are the key properties of 7-fluoro-2,4-dimethyl-[1,3]thiazolo[5,4-b]indole?
7-fluoro-2,4-dimethyl-[1,3]thiazolo[5,4-b]indole has a molecular weight of 220.27 g/mol, XLogP of 3.24, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-2,4-dimethyl-[1,3]thiazolo[5,4-b]indole is sourced from PubChem (CID 940804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).