2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]-N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]acetamide

C23H16ClFN4OS2 — CID 43069168

IUPAC2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]-N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]acetamide
SMILESO=C(Cc1csc(Cc2cccc(Cl)c2)n1)Nc1c(-c2ccc(F)cc2)nc2sccn12
InChIInChI=1S/C23H16ClFN4OS2/c24-16-3-1-2-14(10-16)11-20-26-18(13-32-20)12-19(30)27-22-21(15-4-6-17(25)7-5-15)28-23-29(22)8-9-31-23/h1-10,13H,11-12H2,(H,27,30)
InChIKeyLOMPNJQLTDNJEG-UHFFFAOYSA-N
MW482.99 g/mol
LogP6.08
Rot. Bonds6

About 2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]-N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]acetamide

2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]-N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]acetamide (PubChem CID 43069168) has the molecular formula C23H16ClFN4OS2 and a molecular weight of 482.99 g/mol. Its IUPAC name is 2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]-N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]acetamide.

Molecular Properties

Compound Name2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]-N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]acetamide
PubChem CID43069168
Molecular FormulaC23H16ClFN4OS2
Molecular Weight482.99 g/mol
Exact Mass482.04
IUPAC Name2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]-N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]acetamide
SMILESO=C(Cc1csc(Cc2cccc(Cl)c2)n1)Nc1c(-c2ccc(F)cc2)nc2sccn12
InChIInChI=1S/C23H16ClFN4OS2/c24-16-3-1-2-14(10-16)11-20-26-18(13-32-20)12-19(30)27-22-21(15-4-6-17(25)7-5-15)28-23-29(22)8-9-31-23/h1-10,13H,11-12H2,(H,27,30)
InChIKeyLOMPNJQLTDNJEG-UHFFFAOYSA-N
XLogP6.08
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.99
LogP ≤ 56.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 51603172
2-(2-chloro-6-fluorophenyl)-N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]acetamide
CID 27992833
2-(3-fluorophenyl)-N-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)acetamide
CID 25390779
N-(5-acetamido-2-fluorophenyl)-2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]acetamide
CID 43069303
N-(4-chloro-2-methylphenyl)-2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]acetamide
CID 46427859
N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-2-methylpropanamide
CID 17415628
N-(2-tert-butyl-5-methylpyrazol-3-yl)-2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]acetamide
CID 55796237
2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]-N-(3-oxo-4H-1,4-benzothiazin-6-yl)acetamide
CID 55668062
2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]-N-(4-propan-2-yloxyphenyl)acetamide
CID 55796894
N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 47008613
3-[2-[[2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]acetyl]amino]phenoxy]propanamide
CID 55881237
2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]-N-(5-pentyl-1,3,4-thiadiazol-2-yl)acetamide
CID 55645634

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]-N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]acetamide?
The IUPAC name of 2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]-N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]acetamide (CID 43069168) is 2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]-N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]acetamide.
What is the SMILES notation for 2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]-N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]acetamide?
The canonical SMILES for 2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]-N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]acetamide is O=C(Cc1csc(Cc2cccc(Cl)c2)n1)Nc1c(-c2ccc(F)cc2)nc2sccn12.
What is the InChIKey of 2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]-N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]acetamide?
The InChIKey is LOMPNJQLTDNJEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16ClFN4OS2/c24-16-3-1-2-14(10-16)11-20-26-18(13-32-20)12-19(30)27-22-21(15-4-6-17(25)7-5-15)28-23-29(22)8-9-31-23/h1-10,13H,11-12H2,(H,27,30).
What are the key properties of 2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]-N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]acetamide?
2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]-N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]acetamide has a molecular weight of 482.99 g/mol, XLogP of 6.08, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]-N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]acetamide is sourced from PubChem (CID 43069168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).