2-chloro-6-fluoro-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)benzamide

C13H9ClFN3OS — CID 5310568

IUPAC2-chloro-6-fluoro-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)benzamide
SMILESO=C(NCc1cn2ccsc2n1)c1c(F)cccc1Cl
InChIInChI=1S/C13H9ClFN3OS/c14-9-2-1-3-10(15)11(9)12(19)16-6-8-7-18-4-5-20-13(18)17-8/h1-5,7H,6H2,(H,16,19)
InChIKeyBFHQDOYRHNRBTO-UHFFFAOYSA-N
MW309.75 g/mol
LogP3.12
Rot. Bonds3

About 2-chloro-6-fluoro-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)benzamide

2-chloro-6-fluoro-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)benzamide (PubChem CID 5310568) has the molecular formula C13H9ClFN3OS and a molecular weight of 309.75 g/mol. Its IUPAC name is 2-chloro-6-fluoro-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)benzamide.

Molecular Properties

Compound Name2-chloro-6-fluoro-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)benzamide
PubChem CID5310568
Molecular FormulaC13H9ClFN3OS
Molecular Weight309.75 g/mol
Exact Mass309.01
IUPAC Name2-chloro-6-fluoro-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)benzamide
SMILESO=C(NCc1cn2ccsc2n1)c1c(F)cccc1Cl
InChIInChI=1S/C13H9ClFN3OS/c14-9-2-1-3-10(15)11(9)12(19)16-6-8-7-18-4-5-20-13(18)17-8/h1-5,7H,6H2,(H,16,19)
InChIKeyBFHQDOYRHNRBTO-UHFFFAOYSA-N
XLogP3.12
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.75
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-fluoro-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)benzamide?
The IUPAC name of 2-chloro-6-fluoro-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)benzamide (CID 5310568) is 2-chloro-6-fluoro-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)benzamide.
What is the SMILES notation for 2-chloro-6-fluoro-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)benzamide?
The canonical SMILES for 2-chloro-6-fluoro-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)benzamide is O=C(NCc1cn2ccsc2n1)c1c(F)cccc1Cl.
What is the InChIKey of 2-chloro-6-fluoro-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)benzamide?
The InChIKey is BFHQDOYRHNRBTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClFN3OS/c14-9-2-1-3-10(15)11(9)12(19)16-6-8-7-18-4-5-20-13(18)17-8/h1-5,7H,6H2,(H,16,19).
What are the key properties of 2-chloro-6-fluoro-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)benzamide?
2-chloro-6-fluoro-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)benzamide has a molecular weight of 309.75 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-fluoro-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)benzamide is sourced from PubChem (CID 5310568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).