2-bromo-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide

C8H11BrN2OS — CID 63680496

IUPAC2-bromo-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide
SMILESCc1nc(CN(C)C(=O)CBr)cs1
InChIInChI=1S/C8H11BrN2OS/c1-6-10-7(5-13-6)4-11(2)8(12)3-9/h5H,3-4H2,1-2H3
InChIKeyXEELOGVNCWIWRM-UHFFFAOYSA-N
MW263.16 g/mol
LogP1.80
Rot. Bonds3

About 2-bromo-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide

2-bromo-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide (PubChem CID 63680496) has the molecular formula C8H11BrN2OS and a molecular weight of 263.16 g/mol. Its IUPAC name is 2-bromo-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-bromo-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide
PubChem CID63680496
Molecular FormulaC8H11BrN2OS
Molecular Weight263.16 g/mol
Exact Mass261.98
IUPAC Name2-bromo-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide
SMILESCc1nc(CN(C)C(=O)CBr)cs1
InChIInChI=1S/C8H11BrN2OS/c1-6-10-7(5-13-6)4-11(2)8(12)3-9/h5H,3-4H2,1-2H3
InChIKeyXEELOGVNCWIWRM-UHFFFAOYSA-N
XLogP1.80
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.16
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide?
The IUPAC name of 2-bromo-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide (CID 63680496) is 2-bromo-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide.
What is the SMILES notation for 2-bromo-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide?
The canonical SMILES for 2-bromo-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide is Cc1nc(CN(C)C(=O)CBr)cs1.
What is the InChIKey of 2-bromo-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide?
The InChIKey is XEELOGVNCWIWRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrN2OS/c1-6-10-7(5-13-6)4-11(2)8(12)3-9/h5H,3-4H2,1-2H3.
What are the key properties of 2-bromo-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide?
2-bromo-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide has a molecular weight of 263.16 g/mol, XLogP of 1.80, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide is sourced from PubChem (CID 63680496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).