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

C12H10FNS — CID 146165678

IUPAC1-ethyl-6-fluoro-[1,3]thiazolo[3,2-a]indole
SMILESCCc1csc2cc3cc(F)ccc3n12
InChIInChI=1S/C12H10FNS/c1-2-10-7-15-12-6-8-5-9(13)3-4-11(8)14(10)12/h3-7H,2H2,1H3
InChIKeyPXOBFWNQONRMBX-UHFFFAOYSA-N
MW219.28 g/mol
LogP3.86
Rot. Bonds1

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

1-ethyl-6-fluoro-[1,3]thiazolo[3,2-a]indole (PubChem CID 146165678) has the molecular formula C12H10FNS and a molecular weight of 219.28 g/mol. Its IUPAC name is 1-ethyl-6-fluoro-[1,3]thiazolo[3,2-a]indole.

Molecular Properties

Compound Name1-ethyl-6-fluoro-[1,3]thiazolo[3,2-a]indole
PubChem CID146165678
Molecular FormulaC12H10FNS
Molecular Weight219.28 g/mol
Exact Mass219.05
IUPAC Name1-ethyl-6-fluoro-[1,3]thiazolo[3,2-a]indole
SMILESCCc1csc2cc3cc(F)ccc3n12
InChIInChI=1S/C12H10FNS/c1-2-10-7-15-12-6-8-5-9(13)3-4-11(8)14(10)12/h3-7H,2H2,1H3
InChIKeyPXOBFWNQONRMBX-UHFFFAOYSA-N
XLogP3.86
TPSA4.41 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-6-fluoro-[1,3]thiazolo[3,2-a]indole?
The IUPAC name of 1-ethyl-6-fluoro-[1,3]thiazolo[3,2-a]indole (CID 146165678) is 1-ethyl-6-fluoro-[1,3]thiazolo[3,2-a]indole.
What is the SMILES notation for 1-ethyl-6-fluoro-[1,3]thiazolo[3,2-a]indole?
The canonical SMILES for 1-ethyl-6-fluoro-[1,3]thiazolo[3,2-a]indole is CCc1csc2cc3cc(F)ccc3n12.
What is the InChIKey of 1-ethyl-6-fluoro-[1,3]thiazolo[3,2-a]indole?
The InChIKey is PXOBFWNQONRMBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FNS/c1-2-10-7-15-12-6-8-5-9(13)3-4-11(8)14(10)12/h3-7H,2H2,1H3.
What are the key properties of 1-ethyl-6-fluoro-[1,3]thiazolo[3,2-a]indole?
1-ethyl-6-fluoro-[1,3]thiazolo[3,2-a]indole has a molecular weight of 219.28 g/mol, XLogP of 3.86, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-6-fluoro-[1,3]thiazolo[3,2-a]indole is sourced from PubChem (CID 146165678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).