2-(4-bromophenyl)-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N-methylacetamide

C17H18BrN3OS — CID 71943894

IUPAC2-(4-bromophenyl)-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N-methylacetamide
SMILESCc1cn2c(CN(C)C(=O)Cc3ccc(Br)cc3)c(C)nc2s1
InChIInChI=1S/C17H18BrN3OS/c1-11-9-21-15(12(2)19-17(21)23-11)10-20(3)16(22)8-13-4-6-14(18)7-5-13/h4-7,9H,8,10H2,1-3H3
InChIKeyYGCWVIQNYDMUBX-UHFFFAOYSA-N
MW392.32 g/mol
LogP3.98
Rot. Bonds4

About 2-(4-bromophenyl)-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N-methylacetamide

2-(4-bromophenyl)-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N-methylacetamide (PubChem CID 71943894) has the molecular formula C17H18BrN3OS and a molecular weight of 392.32 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N-methylacetamide
PubChem CID71943894
Molecular FormulaC17H18BrN3OS
Molecular Weight392.32 g/mol
Exact Mass391.04
IUPAC Name2-(4-bromophenyl)-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N-methylacetamide
SMILESCc1cn2c(CN(C)C(=O)Cc3ccc(Br)cc3)c(C)nc2s1
InChIInChI=1S/C17H18BrN3OS/c1-11-9-21-15(12(2)19-17(21)23-11)10-20(3)16(22)8-13-4-6-14(18)7-5-13/h4-7,9H,8,10H2,1-3H3
InChIKeyYGCWVIQNYDMUBX-UHFFFAOYSA-N
XLogP3.98
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.32
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N-methylacetamide?
The IUPAC name of 2-(4-bromophenyl)-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N-methylacetamide (CID 71943894) is 2-(4-bromophenyl)-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-(4-bromophenyl)-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N-methylacetamide?
The canonical SMILES for 2-(4-bromophenyl)-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N-methylacetamide is Cc1cn2c(CN(C)C(=O)Cc3ccc(Br)cc3)c(C)nc2s1.
What is the InChIKey of 2-(4-bromophenyl)-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N-methylacetamide?
The InChIKey is YGCWVIQNYDMUBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrN3OS/c1-11-9-21-15(12(2)19-17(21)23-11)10-20(3)16(22)8-13-4-6-14(18)7-5-13/h4-7,9H,8,10H2,1-3H3.
What are the key properties of 2-(4-bromophenyl)-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N-methylacetamide?
2-(4-bromophenyl)-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N-methylacetamide has a molecular weight of 392.32 g/mol, XLogP of 3.98, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N-methylacetamide is sourced from PubChem (CID 71943894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).