5-fluoro-1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)indole-2,3-dione

C14H8FN3O2S — CID 78943007

IUPAC5-fluoro-1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)indole-2,3-dione
SMILESO=C1C(=O)N(Cc2cn3ccsc3n2)c2ccc(F)cc21
InChIInChI=1S/C14H8FN3O2S/c15-8-1-2-11-10(5-8)12(19)13(20)18(11)7-9-6-17-3-4-21-14(17)16-9/h1-6H,7H2
InChIKeyLNTINTGXAXIUDU-UHFFFAOYSA-N
MW301.30 g/mol
LogP2.26
Rot. Bonds2

About 5-fluoro-1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)indole-2,3-dione

5-fluoro-1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)indole-2,3-dione (PubChem CID 78943007) has the molecular formula C14H8FN3O2S and a molecular weight of 301.30 g/mol. Its IUPAC name is 5-fluoro-1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)indole-2,3-dione.

Molecular Properties

Compound Name5-fluoro-1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)indole-2,3-dione
PubChem CID78943007
Molecular FormulaC14H8FN3O2S
Molecular Weight301.30 g/mol
Exact Mass301.03
IUPAC Name5-fluoro-1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)indole-2,3-dione
SMILESO=C1C(=O)N(Cc2cn3ccsc3n2)c2ccc(F)cc21
InChIInChI=1S/C14H8FN3O2S/c15-8-1-2-11-10(5-8)12(19)13(20)18(11)7-9-6-17-3-4-21-14(17)16-9/h1-6H,7H2
InChIKeyLNTINTGXAXIUDU-UHFFFAOYSA-N
XLogP2.26
TPSA54.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.30
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

5-fluoro-1-(1,3-thiazol-5-ylmethyl)indole-2,3-dione
CID 112640986
1-(2-chloro-4-fluorophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone
CID 115333102
6-(2,5-difluorophenyl)imidazo[2,1-b][1,3]thiazole
CID 115281719
5-fluoro-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfinyl)aniline
CID 115335436
trifluoro-[(5-fluoro-2,3-dioxoindol-1-yl)methyl]boranuide
CID 63705188
1-[(5-chlorothiadiazol-4-yl)methyl]-5-fluoroindole-2,3-dione
CID 43424013
2-bromo-4-fluoro-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)aniline
CID 113288753
trifluoro(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)boranuide
CID 115334554
1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4,5-dihydro-3H-1,4-benzodiazepin-2-one
CID 115334204
5-fluoro-1-(2-hydroxyethyl)indole-2,3-dione
CID 14624170
potassium trifluoro-[(5-fluoro-2,3-dioxoindol-1-yl)methyl]boranuide
CID 63705187
5-fluoro-N'-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)-2-methylbenzohydrazide
CID 17411234

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)indole-2,3-dione?
The IUPAC name of 5-fluoro-1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)indole-2,3-dione (CID 78943007) is 5-fluoro-1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)indole-2,3-dione.
What is the SMILES notation for 5-fluoro-1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)indole-2,3-dione?
The canonical SMILES for 5-fluoro-1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)indole-2,3-dione is O=C1C(=O)N(Cc2cn3ccsc3n2)c2ccc(F)cc21.
What is the InChIKey of 5-fluoro-1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)indole-2,3-dione?
The InChIKey is LNTINTGXAXIUDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8FN3O2S/c15-8-1-2-11-10(5-8)12(19)13(20)18(11)7-9-6-17-3-4-21-14(17)16-9/h1-6H,7H2.
What are the key properties of 5-fluoro-1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)indole-2,3-dione?
5-fluoro-1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)indole-2,3-dione has a molecular weight of 301.30 g/mol, XLogP of 2.26, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)indole-2,3-dione is sourced from PubChem (CID 78943007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).