N-(5-bromo-1,3-thiazol-2-yl)-N-methylacetamide

C6H7BrN2OS — CID 67147803

IUPACN-(5-bromo-1,3-thiazol-2-yl)-N-methylacetamide
SMILESCC(=O)N(C)c1ncc(Br)s1
InChIInChI=1S/C6H7BrN2OS/c1-4(10)9(2)6-8-3-5(7)11-6/h3H,1-2H3
InChIKeyYQXNGIIAPUZDAJ-UHFFFAOYSA-N
MW235.11 g/mol
LogP1.89
Rot. Bonds1

About N-(5-bromo-1,3-thiazol-2-yl)-N-methylacetamide

N-(5-bromo-1,3-thiazol-2-yl)-N-methylacetamide (PubChem CID 67147803) has the molecular formula C6H7BrN2OS and a molecular weight of 235.11 g/mol. Its IUPAC name is N-(5-bromo-1,3-thiazol-2-yl)-N-methylacetamide.

Molecular Properties

Compound NameN-(5-bromo-1,3-thiazol-2-yl)-N-methylacetamide
PubChem CID67147803
Molecular FormulaC6H7BrN2OS
Molecular Weight235.11 g/mol
Exact Mass233.95
IUPAC NameN-(5-bromo-1,3-thiazol-2-yl)-N-methylacetamide
SMILESCC(=O)N(C)c1ncc(Br)s1
InChIInChI=1S/C6H7BrN2OS/c1-4(10)9(2)6-8-3-5(7)11-6/h3H,1-2H3
InChIKeyYQXNGIIAPUZDAJ-UHFFFAOYSA-N
XLogP1.89
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.11
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-1,3-thiazol-2-yl)-N-methylacetamide?
The IUPAC name of N-(5-bromo-1,3-thiazol-2-yl)-N-methylacetamide (CID 67147803) is N-(5-bromo-1,3-thiazol-2-yl)-N-methylacetamide.
What is the SMILES notation for N-(5-bromo-1,3-thiazol-2-yl)-N-methylacetamide?
The canonical SMILES for N-(5-bromo-1,3-thiazol-2-yl)-N-methylacetamide is CC(=O)N(C)c1ncc(Br)s1.
What is the InChIKey of N-(5-bromo-1,3-thiazol-2-yl)-N-methylacetamide?
The InChIKey is YQXNGIIAPUZDAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7BrN2OS/c1-4(10)9(2)6-8-3-5(7)11-6/h3H,1-2H3.
What are the key properties of N-(5-bromo-1,3-thiazol-2-yl)-N-methylacetamide?
N-(5-bromo-1,3-thiazol-2-yl)-N-methylacetamide has a molecular weight of 235.11 g/mol, XLogP of 1.89, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-1,3-thiazol-2-yl)-N-methylacetamide is sourced from PubChem (CID 67147803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).