N-[5-(2-bromoacetyl)-1,3-thiazol-2-yl]-2,2-dimethylpropanamide

C10H13BrN2O2S — CID 25130826

IUPACN-[5-(2-bromoacetyl)-1,3-thiazol-2-yl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1ncc(C(=O)CBr)s1
InChIInChI=1S/C10H13BrN2O2S/c1-10(2,3)8(15)13-9-12-5-7(16-9)6(14)4-11/h5H,4H2,1-3H3,(H,12,13,15)
InChIKeyBFIQLZUQBLETDO-UHFFFAOYSA-N
MW305.20 g/mol
LogP2.71
Rot. Bonds3

About N-[5-(2-bromoacetyl)-1,3-thiazol-2-yl]-2,2-dimethylpropanamide

N-[5-(2-bromoacetyl)-1,3-thiazol-2-yl]-2,2-dimethylpropanamide (PubChem CID 25130826) has the molecular formula C10H13BrN2O2S and a molecular weight of 305.20 g/mol. Its IUPAC name is N-[5-(2-bromoacetyl)-1,3-thiazol-2-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[5-(2-bromoacetyl)-1,3-thiazol-2-yl]-2,2-dimethylpropanamide
PubChem CID25130826
Molecular FormulaC10H13BrN2O2S
Molecular Weight305.20 g/mol
Exact Mass303.99
IUPAC NameN-[5-(2-bromoacetyl)-1,3-thiazol-2-yl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1ncc(C(=O)CBr)s1
InChIInChI=1S/C10H13BrN2O2S/c1-10(2,3)8(15)13-9-12-5-7(16-9)6(14)4-11/h5H,4H2,1-3H3,(H,12,13,15)
InChIKeyBFIQLZUQBLETDO-UHFFFAOYSA-N
XLogP2.71
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.20
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(2-bromoacetyl)-1,3-thiazol-2-yl]-2,2-dimethylpropanamide?
The IUPAC name of N-[5-(2-bromoacetyl)-1,3-thiazol-2-yl]-2,2-dimethylpropanamide (CID 25130826) is N-[5-(2-bromoacetyl)-1,3-thiazol-2-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[5-(2-bromoacetyl)-1,3-thiazol-2-yl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[5-(2-bromoacetyl)-1,3-thiazol-2-yl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)Nc1ncc(C(=O)CBr)s1.
What is the InChIKey of N-[5-(2-bromoacetyl)-1,3-thiazol-2-yl]-2,2-dimethylpropanamide?
The InChIKey is BFIQLZUQBLETDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O2S/c1-10(2,3)8(15)13-9-12-5-7(16-9)6(14)4-11/h5H,4H2,1-3H3,(H,12,13,15).
What are the key properties of N-[5-(2-bromoacetyl)-1,3-thiazol-2-yl]-2,2-dimethylpropanamide?
N-[5-(2-bromoacetyl)-1,3-thiazol-2-yl]-2,2-dimethylpropanamide has a molecular weight of 305.20 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-bromoacetyl)-1,3-thiazol-2-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 25130826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).