3-bromo-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]propanamide

C9H13BrN2OS — CID 82110235

IUPAC3-bromo-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]propanamide
SMILESCCc1cnc(CNC(=O)CCBr)s1
InChIInChI=1S/C9H13BrN2OS/c1-2-7-5-12-9(14-7)6-11-8(13)3-4-10/h5H,2-4,6H2,1H3,(H,11,13)
InChIKeyLTKSJYMWTVTPOB-UHFFFAOYSA-N
MW277.19 g/mol
LogP2.11
Rot. Bonds5

About 3-bromo-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]propanamide

3-bromo-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]propanamide (PubChem CID 82110235) has the molecular formula C9H13BrN2OS and a molecular weight of 277.19 g/mol. Its IUPAC name is 3-bromo-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]propanamide.

Molecular Properties

Compound Name3-bromo-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]propanamide
PubChem CID82110235
Molecular FormulaC9H13BrN2OS
Molecular Weight277.19 g/mol
Exact Mass275.99
IUPAC Name3-bromo-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]propanamide
SMILESCCc1cnc(CNC(=O)CCBr)s1
InChIInChI=1S/C9H13BrN2OS/c1-2-7-5-12-9(14-7)6-11-8(13)3-4-10/h5H,2-4,6H2,1H3,(H,11,13)
InChIKeyLTKSJYMWTVTPOB-UHFFFAOYSA-N
XLogP2.11
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.19
LogP ≤ 52.11
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

2-amino-N-[2-[(5-ethyl-1,3-thiazol-2-yl)methylamino]-2-oxoethyl]acetamide
CID 104872602
5-[(5-ethyl-1,3-thiazol-2-yl)methylamino]-3,3-dimethyl-5-oxopentanoic acid
CID 106703175
2-(4-aminophenyl)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]acetamide
CID 103814839
3-(2-aminophenyl)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]propanamide;dihydrochloride
CID 120613405
2-bromo-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-methylbutanamide
CID 103693152
1-amino-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]cyclopropane-1-carboxamide
CID 103814833
5-[(5-ethyl-1,3-thiazol-2-yl)methylcarbamoyl]pyrazine-2-carboxylic acid
CID 120685818
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]azepane-1-carboxamide
CID 71867664
3-amino-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2,2-dimethylpropanamide
CID 103814857
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-methoxy-2-methylpropanamide
CID 103709224
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-6-fluoropyridine-3-carboxamide
CID 103718321
2,5-dibromo-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]thiophene-3-carboxamide
CID 103709212

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]propanamide?
The IUPAC name of 3-bromo-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]propanamide (CID 82110235) is 3-bromo-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]propanamide.
What is the SMILES notation for 3-bromo-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]propanamide?
The canonical SMILES for 3-bromo-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]propanamide is CCc1cnc(CNC(=O)CCBr)s1.
What is the InChIKey of 3-bromo-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]propanamide?
The InChIKey is LTKSJYMWTVTPOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN2OS/c1-2-7-5-12-9(14-7)6-11-8(13)3-4-10/h5H,2-4,6H2,1H3,(H,11,13).
What are the key properties of 3-bromo-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]propanamide?
3-bromo-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]propanamide has a molecular weight of 277.19 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]propanamide is sourced from PubChem (CID 82110235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).