5-bromo-N-(1-methylazetidin-3-yl)-1,3-thiazole-4-carboxamide

C8H10BrN3OS — CID 164654027

IUPAC5-bromo-N-(1-methylazetidin-3-yl)-1,3-thiazole-4-carboxamide
SMILESCN1CC(NC(=O)c2ncsc2Br)C1
InChIInChI=1S/C8H10BrN3OS/c1-12-2-5(3-12)11-8(13)6-7(9)14-4-10-6/h4-5H,2-3H2,1H3,(H,11,13)
InChIKeyQUNUPQZBBNKGBG-UHFFFAOYSA-N
MW276.16 g/mol
LogP0.95
Rot. Bonds2

About 5-bromo-N-(1-methylazetidin-3-yl)-1,3-thiazole-4-carboxamide

5-bromo-N-(1-methylazetidin-3-yl)-1,3-thiazole-4-carboxamide (PubChem CID 164654027) has the molecular formula C8H10BrN3OS and a molecular weight of 276.16 g/mol. Its IUPAC name is 5-bromo-N-(1-methylazetidin-3-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(1-methylazetidin-3-yl)-1,3-thiazole-4-carboxamide
PubChem CID164654027
Molecular FormulaC8H10BrN3OS
Molecular Weight276.16 g/mol
Exact Mass274.97
IUPAC Name5-bromo-N-(1-methylazetidin-3-yl)-1,3-thiazole-4-carboxamide
SMILESCN1CC(NC(=O)c2ncsc2Br)C1
InChIInChI=1S/C8H10BrN3OS/c1-12-2-5(3-12)11-8(13)6-7(9)14-4-10-6/h4-5H,2-3H2,1H3,(H,11,13)
InChIKeyQUNUPQZBBNKGBG-UHFFFAOYSA-N
XLogP0.95
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.16
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-hydroxy-N-(1-methylpyrrolidin-3-yl)pyridine-2-carboxamide
CID 61465245
1-(5-bromo-1,3-thiazol-4-yl)-2-cyclopropylethanone
CID 164654549
3-amino-N-(1-methylazetidin-3-yl)-1H-1,2,4-triazole-5-carboxamide
CID 130623492
5-bromo-N-(1,2-oxazol-4-yl)-1,3-thiazole-4-carboxamide
CID 164646229
N-(1-methylazepan-4-yl)-1,3-benzothiazole-5-carboxamide
CID 142009418
3-amino-N-(1-methylpiperidin-4-yl)pyrazine-2-carboxamide
CID 47293314
4-bromo-N-cycloheptyl-1,5-dimethylpyrazole-3-carboxamide
CID 19266124
N-[1-(3-bromo-4-methyl-1,2-oxazole-5-carbonyl)-5-methylpyrrolidin-3-yl]-4-methyl-1,3-thiazole-5-carboxamide
CID 166343550
4-bromo-1-ethyl-N-(1-methylpiperidin-3-yl)pyrrole-2-carboxamide
CID 61212021
3-(3-hydroxyprop-1-ynyl)-N-(1-methylpyrrolidin-3-yl)pyridine-2-carboxamide
CID 107521646
N-cycloheptyl-1-methyl-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide
CID 22517052
N-(1-carbamoylazetidin-3-yl)-3-hydroxypyridine-2-carboxamide
CID 167794029

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(1-methylazetidin-3-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 5-bromo-N-(1-methylazetidin-3-yl)-1,3-thiazole-4-carboxamide (CID 164654027) is 5-bromo-N-(1-methylazetidin-3-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 5-bromo-N-(1-methylazetidin-3-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 5-bromo-N-(1-methylazetidin-3-yl)-1,3-thiazole-4-carboxamide is CN1CC(NC(=O)c2ncsc2Br)C1.
What is the InChIKey of 5-bromo-N-(1-methylazetidin-3-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is QUNUPQZBBNKGBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrN3OS/c1-12-2-5(3-12)11-8(13)6-7(9)14-4-10-6/h4-5H,2-3H2,1H3,(H,11,13).
What are the key properties of 5-bromo-N-(1-methylazetidin-3-yl)-1,3-thiazole-4-carboxamide?
5-bromo-N-(1-methylazetidin-3-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 276.16 g/mol, XLogP of 0.95, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(1-methylazetidin-3-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 164654027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).