4-(2-bromoimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-N,N-dimethylbenzamide

C13H11BrN4OS — CID 131984766

IUPAC4-(2-bromoimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(-c2cn3nc(Br)sc3n2)cc1
InChIInChI=1S/C13H11BrN4OS/c1-17(2)11(19)9-5-3-8(4-6-9)10-7-18-13(15-10)20-12(14)16-18/h3-7H,1-2H3
InChIKeyOZCGUZWZWKZIKD-UHFFFAOYSA-N
MW351.23 g/mol
LogP2.92
Rot. Bonds2

About 4-(2-bromoimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-N,N-dimethylbenzamide

4-(2-bromoimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-N,N-dimethylbenzamide (PubChem CID 131984766) has the molecular formula C13H11BrN4OS and a molecular weight of 351.23 g/mol. Its IUPAC name is 4-(2-bromoimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-(2-bromoimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-N,N-dimethylbenzamide
PubChem CID131984766
Molecular FormulaC13H11BrN4OS
Molecular Weight351.23 g/mol
Exact Mass349.98
IUPAC Name4-(2-bromoimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(-c2cn3nc(Br)sc3n2)cc1
InChIInChI=1S/C13H11BrN4OS/c1-17(2)11(19)9-5-3-8(4-6-9)10-7-18-13(15-10)20-12(14)16-18/h3-7H,1-2H3
InChIKeyOZCGUZWZWKZIKD-UHFFFAOYSA-N
XLogP2.92
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.23
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-bromoimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-N,N-dimethylbenzamide?
The IUPAC name of 4-(2-bromoimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-N,N-dimethylbenzamide (CID 131984766) is 4-(2-bromoimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-N,N-dimethylbenzamide.
What is the SMILES notation for 4-(2-bromoimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-N,N-dimethylbenzamide?
The canonical SMILES for 4-(2-bromoimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-N,N-dimethylbenzamide is CN(C)C(=O)c1ccc(-c2cn3nc(Br)sc3n2)cc1.
What is the InChIKey of 4-(2-bromoimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-N,N-dimethylbenzamide?
The InChIKey is OZCGUZWZWKZIKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN4OS/c1-17(2)11(19)9-5-3-8(4-6-9)10-7-18-13(15-10)20-12(14)16-18/h3-7H,1-2H3.
What are the key properties of 4-(2-bromoimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-N,N-dimethylbenzamide?
4-(2-bromoimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-N,N-dimethylbenzamide has a molecular weight of 351.23 g/mol, XLogP of 2.92, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromoimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-N,N-dimethylbenzamide is sourced from PubChem (CID 131984766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).