2-bromo-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]acetamide

C9H13BrN2OS — CID 63681437

IUPAC2-bromo-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]acetamide
SMILESCc1nc(C)c(C(C)NC(=O)CBr)s1
InChIInChI=1S/C9H13BrN2OS/c1-5-9(14-7(3)11-5)6(2)12-8(13)4-10/h6H,4H2,1-3H3,(H,12,13)
InChIKeyMWMYFQHADKLGEQ-UHFFFAOYSA-N
MW277.19 g/mol
LogP2.33
Rot. Bonds3

About 2-bromo-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]acetamide

2-bromo-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]acetamide (PubChem CID 63681437) has the molecular formula C9H13BrN2OS and a molecular weight of 277.19 g/mol. Its IUPAC name is 2-bromo-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-bromo-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]acetamide
PubChem CID63681437
Molecular FormulaC9H13BrN2OS
Molecular Weight277.19 g/mol
Exact Mass275.99
IUPAC Name2-bromo-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]acetamide
SMILESCc1nc(C)c(C(C)NC(=O)CBr)s1
InChIInChI=1S/C9H13BrN2OS/c1-5-9(14-7(3)11-5)6(2)12-8(13)4-10/h6H,4H2,1-3H3,(H,12,13)
InChIKeyMWMYFQHADKLGEQ-UHFFFAOYSA-N
XLogP2.33
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.19
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-3-oxopropanoic acid
CID 62232141
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]cyclopropanecarboxamide
CID 47317373
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-(4-sulfanylphenyl)acetamide
CID 107025586
tert-butyl 4-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-4-oxobutanoate
CID 106707199
2-(1-aminocyclobutyl)-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]acetamide
CID 79853933
2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-N-methylacetamide
CID 61193340
2-(3,5-dimethylpyrazol-1-yl)-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]acetamide
CID 47317448
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80618974
(2R)-2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylcarbamoylamino]-3-hydroxypropanoic acid
CID 80757573
1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-(2,2,2-trifluoroethyl)urea
CID 47329251
1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-3-methylbutan-2-ol
CID 115720451
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3,5-dihydroxybenzamide
CID 104938902

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]acetamide?
The IUPAC name of 2-bromo-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]acetamide (CID 63681437) is 2-bromo-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]acetamide.
What is the SMILES notation for 2-bromo-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]acetamide?
The canonical SMILES for 2-bromo-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]acetamide is Cc1nc(C)c(C(C)NC(=O)CBr)s1.
What is the InChIKey of 2-bromo-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]acetamide?
The InChIKey is MWMYFQHADKLGEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN2OS/c1-5-9(14-7(3)11-5)6(2)12-8(13)4-10/h6H,4H2,1-3H3,(H,12,13).
What are the key properties of 2-bromo-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]acetamide?
2-bromo-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]acetamide has a molecular weight of 277.19 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]acetamide is sourced from PubChem (CID 63681437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).