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

C17H13FN2S — CID 2039005

IUPAC4-benzyl-7-fluoro-2-methyl-[1,3]thiazolo[5,4-b]indole
SMILESCc1nc2c3cc(F)ccc3n(Cc3ccccc3)c2s1
InChIInChI=1S/C17H13FN2S/c1-11-19-16-14-9-13(18)7-8-15(14)20(17(16)21-11)10-12-5-3-2-4-6-12/h2-9H,10H2,1H3
InChIKeyBQZQRSUGEGIQMO-UHFFFAOYSA-N
MW296.37 g/mol
LogP4.75
Rot. Bonds2

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

4-benzyl-7-fluoro-2-methyl-[1,3]thiazolo[5,4-b]indole (PubChem CID 2039005) has the molecular formula C17H13FN2S and a molecular weight of 296.37 g/mol. Its IUPAC name is 4-benzyl-7-fluoro-2-methyl-[1,3]thiazolo[5,4-b]indole.

Molecular Properties

Compound Name4-benzyl-7-fluoro-2-methyl-[1,3]thiazolo[5,4-b]indole
PubChem CID2039005
Molecular FormulaC17H13FN2S
Molecular Weight296.37 g/mol
Exact Mass296.08
IUPAC Name4-benzyl-7-fluoro-2-methyl-[1,3]thiazolo[5,4-b]indole
SMILESCc1nc2c3cc(F)ccc3n(Cc3ccccc3)c2s1
InChIInChI=1S/C17H13FN2S/c1-11-19-16-14-9-13(18)7-8-15(14)20(17(16)21-11)10-12-5-3-2-4-6-12/h2-9H,10H2,1H3
InChIKeyBQZQRSUGEGIQMO-UHFFFAOYSA-N
XLogP4.75
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-7-fluoro-2-methyl-[1,3]thiazolo[5,4-b]indole?
The IUPAC name of 4-benzyl-7-fluoro-2-methyl-[1,3]thiazolo[5,4-b]indole (CID 2039005) is 4-benzyl-7-fluoro-2-methyl-[1,3]thiazolo[5,4-b]indole.
What is the SMILES notation for 4-benzyl-7-fluoro-2-methyl-[1,3]thiazolo[5,4-b]indole?
The canonical SMILES for 4-benzyl-7-fluoro-2-methyl-[1,3]thiazolo[5,4-b]indole is Cc1nc2c3cc(F)ccc3n(Cc3ccccc3)c2s1.
What is the InChIKey of 4-benzyl-7-fluoro-2-methyl-[1,3]thiazolo[5,4-b]indole?
The InChIKey is BQZQRSUGEGIQMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN2S/c1-11-19-16-14-9-13(18)7-8-15(14)20(17(16)21-11)10-12-5-3-2-4-6-12/h2-9H,10H2,1H3.
What are the key properties of 4-benzyl-7-fluoro-2-methyl-[1,3]thiazolo[5,4-b]indole?
4-benzyl-7-fluoro-2-methyl-[1,3]thiazolo[5,4-b]indole has a molecular weight of 296.37 g/mol, XLogP of 4.75, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-7-fluoro-2-methyl-[1,3]thiazolo[5,4-b]indole is sourced from PubChem (CID 2039005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).