N-[[5-(bromomethyl)-4-ethyl-1,3-thiazol-2-yl]methyl]-N-ethylethanamine

C11H19BrN2S — CID 82430445

IUPACN-[[5-(bromomethyl)-4-ethyl-1,3-thiazol-2-yl]methyl]-N-ethylethanamine
SMILESCCc1nc(CN(CC)CC)sc1CBr
InChIInChI=1S/C11H19BrN2S/c1-4-9-10(7-12)15-11(13-9)8-14(5-2)6-3/h4-8H2,1-3H3
InChIKeyMTXCRNKDBFANOE-UHFFFAOYSA-N
MW291.26 g/mol
LogP3.44
Rot. Bonds6

About N-[[5-(bromomethyl)-4-ethyl-1,3-thiazol-2-yl]methyl]-N-ethylethanamine

N-[[5-(bromomethyl)-4-ethyl-1,3-thiazol-2-yl]methyl]-N-ethylethanamine (PubChem CID 82430445) has the molecular formula C11H19BrN2S and a molecular weight of 291.26 g/mol. Its IUPAC name is N-[[5-(bromomethyl)-4-ethyl-1,3-thiazol-2-yl]methyl]-N-ethylethanamine.

Molecular Properties

Compound NameN-[[5-(bromomethyl)-4-ethyl-1,3-thiazol-2-yl]methyl]-N-ethylethanamine
PubChem CID82430445
Molecular FormulaC11H19BrN2S
Molecular Weight291.26 g/mol
Exact Mass290.05
IUPAC NameN-[[5-(bromomethyl)-4-ethyl-1,3-thiazol-2-yl]methyl]-N-ethylethanamine
SMILESCCc1nc(CN(CC)CC)sc1CBr
InChIInChI=1S/C11H19BrN2S/c1-4-9-10(7-12)15-11(13-9)8-14(5-2)6-3/h4-8H2,1-3H3
InChIKeyMTXCRNKDBFANOE-UHFFFAOYSA-N
XLogP3.44
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.26
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[[5-(bromomethyl)-4-ethyl-1,3-thiazol-2-yl]methyl]-N-ethylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(bromomethyl)-4-ethyl-2-(methoxymethyl)-1,3-thiazole
CID 82430363
2-[2-(diethylaminomethyl)-4-propyl-1,3-thiazol-5-yl]acetic acid
CID 82432920
2-[2-(diethylaminomethyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]acetonitrile
CID 82441464
2-[5-(diethylaminomethyl)-2-ethyl-1,3-thiazol-4-yl]acetic acid
CID 82069250
N-ethyl-N-[[4-methyl-5-(methylaminomethyl)-1,3-thiazol-2-yl]methyl]ethanamine
CID 82193737
4-[2-(diethylaminomethyl)-4-ethyl-1,3-thiazol-5-yl]-N-methyl-1,3-thiazol-2-amine
CID 82430456
4,5-diethyl-2-propyl-1,3-thiazole
CID 150030476
(4,5-diethyl-1,3-thiazol-2-yl)methanamine
CID 105434611
2-[[butyl(ethyl)amino]methyl]-4-ethyl-1,3-thiazole-5-carboxylic acid
CID 82227238
1-[2-(diethylaminomethyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]ethanone
CID 82441470
N-[[2-[2-(diethylamino)ethyl]-4-ethyl-1,3-thiazol-5-yl]methyl]butan-1-amine
CID 82430672
2-[2-(diethylaminomethyl)-4-propan-2-yl-1,3-thiazol-5-yl]acetic acid
CID 82435214

Frequently Asked Questions

What is the IUPAC name of N-[[5-(bromomethyl)-4-ethyl-1,3-thiazol-2-yl]methyl]-N-ethylethanamine?
The IUPAC name of N-[[5-(bromomethyl)-4-ethyl-1,3-thiazol-2-yl]methyl]-N-ethylethanamine (CID 82430445) is N-[[5-(bromomethyl)-4-ethyl-1,3-thiazol-2-yl]methyl]-N-ethylethanamine.
What is the SMILES notation for N-[[5-(bromomethyl)-4-ethyl-1,3-thiazol-2-yl]methyl]-N-ethylethanamine?
The canonical SMILES for N-[[5-(bromomethyl)-4-ethyl-1,3-thiazol-2-yl]methyl]-N-ethylethanamine is CCc1nc(CN(CC)CC)sc1CBr.
What is the InChIKey of N-[[5-(bromomethyl)-4-ethyl-1,3-thiazol-2-yl]methyl]-N-ethylethanamine?
The InChIKey is MTXCRNKDBFANOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19BrN2S/c1-4-9-10(7-12)15-11(13-9)8-14(5-2)6-3/h4-8H2,1-3H3.
What are the key properties of N-[[5-(bromomethyl)-4-ethyl-1,3-thiazol-2-yl]methyl]-N-ethylethanamine?
N-[[5-(bromomethyl)-4-ethyl-1,3-thiazol-2-yl]methyl]-N-ethylethanamine has a molecular weight of 291.26 g/mol, XLogP of 3.44, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(bromomethyl)-4-ethyl-1,3-thiazol-2-yl]methyl]-N-ethylethanamine is sourced from PubChem (CID 82430445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).