N-(5-bromo-4-methyl-1,3-thiazol-2-yl)-2-chloroacetamide

C6H6BrClN2OS — CID 817032

IUPACN-(5-bromo-4-methyl-1,3-thiazol-2-yl)-2-chloroacetamide
SMILESCc1nc(NC(=O)CCl)sc1Br
InChIInChI=1S/C6H6BrClN2OS/c1-3-5(7)12-6(9-3)10-4(11)2-8/h2H2,1H3,(H,9,10,11)
InChIKeySMRBVSVLLFTFDQ-UHFFFAOYSA-N
MW269.55 g/mol
LogP2.39
Rot. Bonds2

About N-(5-bromo-4-methyl-1,3-thiazol-2-yl)-2-chloroacetamide

N-(5-bromo-4-methyl-1,3-thiazol-2-yl)-2-chloroacetamide (PubChem CID 817032) has the molecular formula C6H6BrClN2OS and a molecular weight of 269.55 g/mol. Its IUPAC name is N-(5-bromo-4-methyl-1,3-thiazol-2-yl)-2-chloroacetamide.

Molecular Properties

Compound NameN-(5-bromo-4-methyl-1,3-thiazol-2-yl)-2-chloroacetamide
PubChem CID817032
Molecular FormulaC6H6BrClN2OS
Molecular Weight269.55 g/mol
Exact Mass267.91
IUPAC NameN-(5-bromo-4-methyl-1,3-thiazol-2-yl)-2-chloroacetamide
SMILESCc1nc(NC(=O)CCl)sc1Br
InChIInChI=1S/C6H6BrClN2OS/c1-3-5(7)12-6(9-3)10-4(11)2-8/h2H2,1H3,(H,9,10,11)
InChIKeySMRBVSVLLFTFDQ-UHFFFAOYSA-N
XLogP2.39
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.55
LogP ≤ 52.39
H-Bond Donors ≤ 51
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 N-(5-bromo-4-methyl-1,3-thiazol-2-yl)-2-chloroacetamide?
The IUPAC name of N-(5-bromo-4-methyl-1,3-thiazol-2-yl)-2-chloroacetamide (CID 817032) is N-(5-bromo-4-methyl-1,3-thiazol-2-yl)-2-chloroacetamide.
What is the SMILES notation for N-(5-bromo-4-methyl-1,3-thiazol-2-yl)-2-chloroacetamide?
The canonical SMILES for N-(5-bromo-4-methyl-1,3-thiazol-2-yl)-2-chloroacetamide is Cc1nc(NC(=O)CCl)sc1Br.
What is the InChIKey of N-(5-bromo-4-methyl-1,3-thiazol-2-yl)-2-chloroacetamide?
The InChIKey is SMRBVSVLLFTFDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6BrClN2OS/c1-3-5(7)12-6(9-3)10-4(11)2-8/h2H2,1H3,(H,9,10,11).
What are the key properties of N-(5-bromo-4-methyl-1,3-thiazol-2-yl)-2-chloroacetamide?
N-(5-bromo-4-methyl-1,3-thiazol-2-yl)-2-chloroacetamide has a molecular weight of 269.55 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-4-methyl-1,3-thiazol-2-yl)-2-chloroacetamide is sourced from PubChem (CID 817032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).