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

C13H12FNS — CID 146165790

IUPAC6-fluoro-1-propyl-[1,3]thiazolo[3,2-a]indole
SMILESCCCc1csc2cc3cc(F)ccc3n12
InChIInChI=1S/C13H12FNS/c1-2-3-11-8-16-13-7-9-6-10(14)4-5-12(9)15(11)13/h4-8H,2-3H2,1H3
InChIKeyZIKXVWLUQIKQQQ-UHFFFAOYSA-N
MW233.31 g/mol
LogP4.25
Rot. Bonds2

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

6-fluoro-1-propyl-[1,3]thiazolo[3,2-a]indole (PubChem CID 146165790) has the molecular formula C13H12FNS and a molecular weight of 233.31 g/mol. Its IUPAC name is 6-fluoro-1-propyl-[1,3]thiazolo[3,2-a]indole.

Molecular Properties

Compound Name6-fluoro-1-propyl-[1,3]thiazolo[3,2-a]indole
PubChem CID146165790
Molecular FormulaC13H12FNS
Molecular Weight233.31 g/mol
Exact Mass233.07
IUPAC Name6-fluoro-1-propyl-[1,3]thiazolo[3,2-a]indole
SMILESCCCc1csc2cc3cc(F)ccc3n12
InChIInChI=1S/C13H12FNS/c1-2-3-11-8-16-13-7-9-6-10(14)4-5-12(9)15(11)13/h4-8H,2-3H2,1H3
InChIKeyZIKXVWLUQIKQQQ-UHFFFAOYSA-N
XLogP4.25
TPSA4.41 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1-propyl-[1,3]thiazolo[3,2-a]indole?
The IUPAC name of 6-fluoro-1-propyl-[1,3]thiazolo[3,2-a]indole (CID 146165790) is 6-fluoro-1-propyl-[1,3]thiazolo[3,2-a]indole.
What is the SMILES notation for 6-fluoro-1-propyl-[1,3]thiazolo[3,2-a]indole?
The canonical SMILES for 6-fluoro-1-propyl-[1,3]thiazolo[3,2-a]indole is CCCc1csc2cc3cc(F)ccc3n12.
What is the InChIKey of 6-fluoro-1-propyl-[1,3]thiazolo[3,2-a]indole?
The InChIKey is ZIKXVWLUQIKQQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNS/c1-2-3-11-8-16-13-7-9-6-10(14)4-5-12(9)15(11)13/h4-8H,2-3H2,1H3.
What are the key properties of 6-fluoro-1-propyl-[1,3]thiazolo[3,2-a]indole?
6-fluoro-1-propyl-[1,3]thiazolo[3,2-a]indole has a molecular weight of 233.31 g/mol, XLogP of 4.25, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1-propyl-[1,3]thiazolo[3,2-a]indole is sourced from PubChem (CID 146165790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).