1-(2-chloro-4-fluorophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone

C13H8ClFN2OS — CID 115333102

IUPAC1-(2-chloro-4-fluorophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone
SMILESO=C(Cc1cn2ccsc2n1)c1ccc(F)cc1Cl
InChIInChI=1S/C13H8ClFN2OS/c14-11-5-8(15)1-2-10(11)12(18)6-9-7-17-3-4-19-13(17)16-9/h1-5,7H,6H2
InChIKeyNJAPDWQQWJLZAA-UHFFFAOYSA-N
MW294.74 g/mol
LogP3.61
Rot. Bonds3

About 1-(2-chloro-4-fluorophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone

1-(2-chloro-4-fluorophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone (PubChem CID 115333102) has the molecular formula C13H8ClFN2OS and a molecular weight of 294.74 g/mol. Its IUPAC name is 1-(2-chloro-4-fluorophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone.

Molecular Properties

Compound Name1-(2-chloro-4-fluorophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone
PubChem CID115333102
Molecular FormulaC13H8ClFN2OS
Molecular Weight294.74 g/mol
Exact Mass294.00
IUPAC Name1-(2-chloro-4-fluorophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone
SMILESO=C(Cc1cn2ccsc2n1)c1ccc(F)cc1Cl
InChIInChI=1S/C13H8ClFN2OS/c14-11-5-8(15)1-2-10(11)12(18)6-9-7-17-3-4-19-13(17)16-9/h1-5,7H,6H2
InChIKeyNJAPDWQQWJLZAA-UHFFFAOYSA-N
XLogP3.61
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.74
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chloro-3-fluorophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone
CID 107996572
1-(4-bromo-2-methylphenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone
CID 115792074
1-(3,5-dichlorophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone
CID 115791953
1-(4-amino-3,5-dichlorophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone
CID 116609986
1-(2,5-dibromophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone
CID 115792047
1-(2,4-dimethoxyphenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone
CID 115791997
5-fluoro-N'-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)-2-methylbenzohydrazide
CID 17411234
1-(2,3-dimethoxyphenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone
CID 105123051
2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(3-methylphenyl)ethanone
CID 115333062
1-(3-bromophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone
CID 113289105
N'-(2,4-difluorophenyl)sulfonyl-2-imidazo[2,1-b][1,3]thiazol-6-ylacetohydrazide
CID 8505191
1-(2-chloro-4-fluorophenyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanone
CID 64785269

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-fluorophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone?
The IUPAC name of 1-(2-chloro-4-fluorophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone (CID 115333102) is 1-(2-chloro-4-fluorophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone.
What is the SMILES notation for 1-(2-chloro-4-fluorophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone?
The canonical SMILES for 1-(2-chloro-4-fluorophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone is O=C(Cc1cn2ccsc2n1)c1ccc(F)cc1Cl.
What is the InChIKey of 1-(2-chloro-4-fluorophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone?
The InChIKey is NJAPDWQQWJLZAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClFN2OS/c14-11-5-8(15)1-2-10(11)12(18)6-9-7-17-3-4-19-13(17)16-9/h1-5,7H,6H2.
What are the key properties of 1-(2-chloro-4-fluorophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone?
1-(2-chloro-4-fluorophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone has a molecular weight of 294.74 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-fluorophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone is sourced from PubChem (CID 115333102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).