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

C12H11FN2S — CID 939302

IUPAC4-ethyl-7-fluoro-2-methyl-[1,3]thiazolo[5,4-b]indole
SMILESCCn1c2ccc(F)cc2c2nc(C)sc21
InChIInChI=1S/C12H11FN2S/c1-3-15-10-5-4-8(13)6-9(10)11-12(15)16-7(2)14-11/h4-6H,3H2,1-2H3
InChIKeyNTRISUKBQJQWLY-UHFFFAOYSA-N
MW234.30 g/mol
LogP3.72
Rot. Bonds1

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

4-ethyl-7-fluoro-2-methyl-[1,3]thiazolo[5,4-b]indole (PubChem CID 939302) has the molecular formula C12H11FN2S and a molecular weight of 234.30 g/mol. Its IUPAC name is 4-ethyl-7-fluoro-2-methyl-[1,3]thiazolo[5,4-b]indole.

Molecular Properties

Compound Name4-ethyl-7-fluoro-2-methyl-[1,3]thiazolo[5,4-b]indole
PubChem CID939302
Molecular FormulaC12H11FN2S
Molecular Weight234.30 g/mol
Exact Mass234.06
IUPAC Name4-ethyl-7-fluoro-2-methyl-[1,3]thiazolo[5,4-b]indole
SMILESCCn1c2ccc(F)cc2c2nc(C)sc21
InChIInChI=1S/C12H11FN2S/c1-3-15-10-5-4-8(13)6-9(10)11-12(15)16-7(2)14-11/h4-6H,3H2,1-2H3
InChIKeyNTRISUKBQJQWLY-UHFFFAOYSA-N
XLogP3.72
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-7-fluoro-2-methyl-[1,3]thiazolo[5,4-b]indole?
The IUPAC name of 4-ethyl-7-fluoro-2-methyl-[1,3]thiazolo[5,4-b]indole (CID 939302) is 4-ethyl-7-fluoro-2-methyl-[1,3]thiazolo[5,4-b]indole.
What is the SMILES notation for 4-ethyl-7-fluoro-2-methyl-[1,3]thiazolo[5,4-b]indole?
The canonical SMILES for 4-ethyl-7-fluoro-2-methyl-[1,3]thiazolo[5,4-b]indole is CCn1c2ccc(F)cc2c2nc(C)sc21.
What is the InChIKey of 4-ethyl-7-fluoro-2-methyl-[1,3]thiazolo[5,4-b]indole?
The InChIKey is NTRISUKBQJQWLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2S/c1-3-15-10-5-4-8(13)6-9(10)11-12(15)16-7(2)14-11/h4-6H,3H2,1-2H3.
What are the key properties of 4-ethyl-7-fluoro-2-methyl-[1,3]thiazolo[5,4-b]indole?
4-ethyl-7-fluoro-2-methyl-[1,3]thiazolo[5,4-b]indole has a molecular weight of 234.30 g/mol, XLogP of 3.72, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-7-fluoro-2-methyl-[1,3]thiazolo[5,4-b]indole is sourced from PubChem (CID 939302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).