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

C11H17BrN2OS — CID 103693152

IUPAC2-bromo-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-methylbutanamide
SMILESCCc1cnc(CNC(=O)C(Br)C(C)C)s1
InChIInChI=1S/C11H17BrN2OS/c1-4-8-5-13-9(16-8)6-14-11(15)10(12)7(2)3/h5,7,10H,4,6H2,1-3H3,(H,14,15)
InChIKeyNCQGYUPRASQTJM-UHFFFAOYSA-N
MW305.24 g/mol
LogP2.74
Rot. Bonds5

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

2-bromo-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-methylbutanamide (PubChem CID 103693152) has the molecular formula C11H17BrN2OS and a molecular weight of 305.24 g/mol. Its IUPAC name is 2-bromo-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-methylbutanamide.

Molecular Properties

Compound Name2-bromo-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-methylbutanamide
PubChem CID103693152
Molecular FormulaC11H17BrN2OS
Molecular Weight305.24 g/mol
Exact Mass304.02
IUPAC Name2-bromo-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-methylbutanamide
SMILESCCc1cnc(CNC(=O)C(Br)C(C)C)s1
InChIInChI=1S/C11H17BrN2OS/c1-4-8-5-13-9(16-8)6-14-11(15)10(12)7(2)3/h5,7,10H,4,6H2,1-3H3,(H,14,15)
InChIKeyNCQGYUPRASQTJM-UHFFFAOYSA-N
XLogP2.74
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.24
LogP ≤ 52.74
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-bromo-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]propanamide
CID 82110235
2-amino-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-phenylacetamide
CID 103814835
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
2-amino-N-[2-[(5-ethyl-1,3-thiazol-2-yl)methylamino]-2-oxoethyl]acetamide
CID 104872602
(2R)-2-amino-N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]propanamide;dihydrochloride
CID 119896002
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]azepane-1-carboxamide
CID 71867664
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-methoxy-2-methylpropanamide
CID 103709224
2,5-dibromo-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]thiophene-3-carboxamide
CID 103709212
2-bromo-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]benzamide
CID 103709233
5-bromo-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]pyridine-2-carboxamide
CID 113245137

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-methylbutanamide?
The IUPAC name of 2-bromo-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-methylbutanamide (CID 103693152) is 2-bromo-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-methylbutanamide.
What is the SMILES notation for 2-bromo-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-methylbutanamide?
The canonical SMILES for 2-bromo-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-methylbutanamide is CCc1cnc(CNC(=O)C(Br)C(C)C)s1.
What is the InChIKey of 2-bromo-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-methylbutanamide?
The InChIKey is NCQGYUPRASQTJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2OS/c1-4-8-5-13-9(16-8)6-14-11(15)10(12)7(2)3/h5,7,10H,4,6H2,1-3H3,(H,14,15).
What are the key properties of 2-bromo-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-methylbutanamide?
2-bromo-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-methylbutanamide has a molecular weight of 305.24 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-methylbutanamide is sourced from PubChem (CID 103693152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).