N-(2-bromoethyl)-N-ethyl-1,3-thiazole-4-carboxamide

C8H11BrN2OS — CID 80660747

IUPACN-(2-bromoethyl)-N-ethyl-1,3-thiazole-4-carboxamide
SMILESCCN(CCBr)C(=O)c1cscn1
InChIInChI=1S/C8H11BrN2OS/c1-2-11(4-3-9)8(12)7-5-13-6-10-7/h5-6H,2-4H2,1H3
InChIKeyUQYXOCGXDXEOFB-UHFFFAOYSA-N
MW263.16 g/mol
LogP2.00
Rot. Bonds4

About N-(2-bromoethyl)-N-ethyl-1,3-thiazole-4-carboxamide

N-(2-bromoethyl)-N-ethyl-1,3-thiazole-4-carboxamide (PubChem CID 80660747) has the molecular formula C8H11BrN2OS and a molecular weight of 263.16 g/mol. Its IUPAC name is N-(2-bromoethyl)-N-ethyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-bromoethyl)-N-ethyl-1,3-thiazole-4-carboxamide
PubChem CID80660747
Molecular FormulaC8H11BrN2OS
Molecular Weight263.16 g/mol
Exact Mass261.98
IUPAC NameN-(2-bromoethyl)-N-ethyl-1,3-thiazole-4-carboxamide
SMILESCCN(CCBr)C(=O)c1cscn1
InChIInChI=1S/C8H11BrN2OS/c1-2-11(4-3-9)8(12)7-5-13-6-10-7/h5-6H,2-4H2,1H3
InChIKeyUQYXOCGXDXEOFB-UHFFFAOYSA-N
XLogP2.00
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.16
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-N-(2-bromoethyl)-1,3-thiazole-4-carboxamide
CID 80662159
N-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide
CID 63047508
N-ethyl-N-[(2-methylphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 63049222
N-(3-amino-3-hydroxyimino-2-methylpropyl)-N-ethyl-1,3-thiazole-4-carboxamide
CID 76982221
N-[2-[ethyl(propyl)amino]ethyl]-1,3-thiazole-4-carboxamide
CID 103719294
2-[2-methoxyethyl(1,3-thiazole-4-carbonyl)amino]acetic acid
CID 63023024
3-[2-methylpropyl(1,3-thiazole-4-carbonyl)amino]propanoic acid
CID 119190716
N-cyclopentyl-N-ethyl-1,3-thiazole-4-carboxamide
CID 63037041
N-methyl-N-(2-methylbutyl)-1,3-thiazole-4-carboxamide
CID 63038266
N-(2-bromoethyl)-N-ethyl-5-methyl-1,2-oxazole-3-carboxamide
CID 80660169
methyl 3-[2-methoxyethyl(1,3-thiazole-4-carbonyl)amino]propanoate
CID 78959009
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-ethyl-1,3-thiazole-4-carboxamide
CID 63036864

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-N-ethyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(2-bromoethyl)-N-ethyl-1,3-thiazole-4-carboxamide (CID 80660747) is N-(2-bromoethyl)-N-ethyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(2-bromoethyl)-N-ethyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(2-bromoethyl)-N-ethyl-1,3-thiazole-4-carboxamide is CCN(CCBr)C(=O)c1cscn1.
What is the InChIKey of N-(2-bromoethyl)-N-ethyl-1,3-thiazole-4-carboxamide?
The InChIKey is UQYXOCGXDXEOFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrN2OS/c1-2-11(4-3-9)8(12)7-5-13-6-10-7/h5-6H,2-4H2,1H3.
What are the key properties of N-(2-bromoethyl)-N-ethyl-1,3-thiazole-4-carboxamide?
N-(2-bromoethyl)-N-ethyl-1,3-thiazole-4-carboxamide has a molecular weight of 263.16 g/mol, XLogP of 2.00, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-N-ethyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 80660747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).