N-benzyl-N-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-2-methoxybenzamide

C28H24FN3O2S — CID 4226824

IUPACN-benzyl-N-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)N(CCc1csc2nc(-c3ccc(F)cc3)cn12)Cc1ccccc1
InChIInChI=1S/C28H24FN3O2S/c1-34-26-10-6-5-9-24(26)27(33)31(17-20-7-3-2-4-8-20)16-15-23-19-35-28-30-25(18-32(23)28)21-11-13-22(29)14-12-21/h2-14,18-19H,15-17H2,1H3
InChIKeyMFXKXLWLEAMKLO-UHFFFAOYSA-N
MW485.58 g/mol
LogP6.10
Rot. Bonds8

About N-benzyl-N-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-2-methoxybenzamide

N-benzyl-N-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-2-methoxybenzamide (PubChem CID 4226824) has the molecular formula C28H24FN3O2S and a molecular weight of 485.58 g/mol. Its IUPAC name is N-benzyl-N-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-benzyl-N-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-2-methoxybenzamide
PubChem CID4226824
Molecular FormulaC28H24FN3O2S
Molecular Weight485.58 g/mol
Exact Mass485.16
IUPAC NameN-benzyl-N-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)N(CCc1csc2nc(-c3ccc(F)cc3)cn12)Cc1ccccc1
InChIInChI=1S/C28H24FN3O2S/c1-34-26-10-6-5-9-24(26)27(33)31(17-20-7-3-2-4-8-20)16-15-23-19-35-28-30-25(18-32(23)28)21-11-13-22(29)14-12-21/h2-14,18-19H,15-17H2,1H3
InChIKeyMFXKXLWLEAMKLO-UHFFFAOYSA-N
XLogP6.10
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.58
LogP ≤ 56.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-2-methoxybenzamide?
The IUPAC name of N-benzyl-N-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-2-methoxybenzamide (CID 4226824) is N-benzyl-N-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-2-methoxybenzamide.
What is the SMILES notation for N-benzyl-N-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-2-methoxybenzamide?
The canonical SMILES for N-benzyl-N-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-2-methoxybenzamide is COc1ccccc1C(=O)N(CCc1csc2nc(-c3ccc(F)cc3)cn12)Cc1ccccc1.
What is the InChIKey of N-benzyl-N-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-2-methoxybenzamide?
The InChIKey is MFXKXLWLEAMKLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24FN3O2S/c1-34-26-10-6-5-9-24(26)27(33)31(17-20-7-3-2-4-8-20)16-15-23-19-35-28-30-25(18-32(23)28)21-11-13-22(29)14-12-21/h2-14,18-19H,15-17H2,1H3.
What are the key properties of N-benzyl-N-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-2-methoxybenzamide?
N-benzyl-N-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-2-methoxybenzamide has a molecular weight of 485.58 g/mol, XLogP of 6.10, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-2-methoxybenzamide is sourced from PubChem (CID 4226824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).