3-bromo-N-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]benzamide

C14H13BrN4OS — CID 53163297

IUPAC3-bromo-N-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]benzamide
SMILESCc1nn2c(CNC(=O)c3cccc(Br)c3)c(C)nc2s1
InChIInChI=1S/C14H13BrN4OS/c1-8-12(19-14(17-8)21-9(2)18-19)7-16-13(20)10-4-3-5-11(15)6-10/h3-6H,7H2,1-2H3,(H,16,20)
InChIKeyAGWINCRHPZNZIB-UHFFFAOYSA-N
MW365.26 g/mol
LogP3.10
Rot. Bonds3

About 3-bromo-N-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]benzamide

3-bromo-N-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]benzamide (PubChem CID 53163297) has the molecular formula C14H13BrN4OS and a molecular weight of 365.26 g/mol. Its IUPAC name is 3-bromo-N-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]benzamide.

Molecular Properties

Compound Name3-bromo-N-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]benzamide
PubChem CID53163297
Molecular FormulaC14H13BrN4OS
Molecular Weight365.26 g/mol
Exact Mass364.00
IUPAC Name3-bromo-N-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]benzamide
SMILESCc1nn2c(CNC(=O)c3cccc(Br)c3)c(C)nc2s1
InChIInChI=1S/C14H13BrN4OS/c1-8-12(19-14(17-8)21-9(2)18-19)7-16-13(20)10-4-3-5-11(15)6-10/h3-6H,7H2,1-2H3,(H,16,20)
InChIKeyAGWINCRHPZNZIB-UHFFFAOYSA-N
XLogP3.10
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.26
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-ethyl-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-3-methylbenzamide
CID 53163320
3-bromo-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzamide
CID 47344966
3-bromo-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 19330923
1-benzoyl-N-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 53162999
3-bromo-N-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]benzamide
CID 840214
3-bromo-N-(imidazo[1,2-a]pyridin-2-ylmethyl)benzamide
CID 8917100
3-bromo-N-[[4-(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methyl]benzamide
CID 25239428
N-[(2-methyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]pyridine-3-carboxamide
CID 53163111
N-[(2-ethyl-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-2,4-dimethylbenzamide
CID 53163339
3-bromo-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]benzamide
CID 110642005
3-bromo-N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]benzamide
CID 71808599
3-bromo-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 19292435

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]benzamide?
The IUPAC name of 3-bromo-N-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]benzamide (CID 53163297) is 3-bromo-N-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]benzamide.
What is the SMILES notation for 3-bromo-N-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]benzamide?
The canonical SMILES for 3-bromo-N-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]benzamide is Cc1nn2c(CNC(=O)c3cccc(Br)c3)c(C)nc2s1.
What is the InChIKey of 3-bromo-N-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]benzamide?
The InChIKey is AGWINCRHPZNZIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN4OS/c1-8-12(19-14(17-8)21-9(2)18-19)7-16-13(20)10-4-3-5-11(15)6-10/h3-6H,7H2,1-2H3,(H,16,20).
What are the key properties of 3-bromo-N-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]benzamide?
3-bromo-N-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]benzamide has a molecular weight of 365.26 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]benzamide is sourced from PubChem (CID 53163297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).