1-benzyl-6-fluoro-[1,3]thiazolo[3,2-a]indole

C17H12FNS — CID 146165791

IUPAC1-benzyl-6-fluoro-[1,3]thiazolo[3,2-a]indole
SMILESFc1ccc2c(c1)cc1scc(Cc3ccccc3)n12
InChIInChI=1S/C17H12FNS/c18-14-6-7-16-13(9-14)10-17-19(16)15(11-20-17)8-12-4-2-1-3-5-12/h1-7,9-11H,8H2
InChIKeyOOEYNSVGMPWVEE-UHFFFAOYSA-N
MW281.36 g/mol
LogP4.88
Rot. Bonds2

About 1-benzyl-6-fluoro-[1,3]thiazolo[3,2-a]indole

1-benzyl-6-fluoro-[1,3]thiazolo[3,2-a]indole (PubChem CID 146165791) has the molecular formula C17H12FNS and a molecular weight of 281.36 g/mol. Its IUPAC name is 1-benzyl-6-fluoro-[1,3]thiazolo[3,2-a]indole.

Molecular Properties

Compound Name1-benzyl-6-fluoro-[1,3]thiazolo[3,2-a]indole
PubChem CID146165791
Molecular FormulaC17H12FNS
Molecular Weight281.36 g/mol
Exact Mass281.07
IUPAC Name1-benzyl-6-fluoro-[1,3]thiazolo[3,2-a]indole
SMILESFc1ccc2c(c1)cc1scc(Cc3ccccc3)n12
InChIInChI=1S/C17H12FNS/c18-14-6-7-16-13(9-14)10-17-19(16)15(11-20-17)8-12-4-2-1-3-5-12/h1-7,9-11H,8H2
InChIKeyOOEYNSVGMPWVEE-UHFFFAOYSA-N
XLogP4.88
TPSA4.41 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-6-fluoro-[1,3]thiazolo[3,2-a]indole?
The IUPAC name of 1-benzyl-6-fluoro-[1,3]thiazolo[3,2-a]indole (CID 146165791) is 1-benzyl-6-fluoro-[1,3]thiazolo[3,2-a]indole.
What is the SMILES notation for 1-benzyl-6-fluoro-[1,3]thiazolo[3,2-a]indole?
The canonical SMILES for 1-benzyl-6-fluoro-[1,3]thiazolo[3,2-a]indole is Fc1ccc2c(c1)cc1scc(Cc3ccccc3)n12.
What is the InChIKey of 1-benzyl-6-fluoro-[1,3]thiazolo[3,2-a]indole?
The InChIKey is OOEYNSVGMPWVEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FNS/c18-14-6-7-16-13(9-14)10-17-19(16)15(11-20-17)8-12-4-2-1-3-5-12/h1-7,9-11H,8H2.
What are the key properties of 1-benzyl-6-fluoro-[1,3]thiazolo[3,2-a]indole?
1-benzyl-6-fluoro-[1,3]thiazolo[3,2-a]indole has a molecular weight of 281.36 g/mol, XLogP of 4.88, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-6-fluoro-[1,3]thiazolo[3,2-a]indole is sourced from PubChem (CID 146165791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).