4-(bromomethyl)-2-(4-ethylpiperazin-1-yl)-1,3-thiazole

C10H16BrN3S — CID 82514901

IUPAC4-(bromomethyl)-2-(4-ethylpiperazin-1-yl)-1,3-thiazole
SMILESCCN1CCN(c2nc(CBr)cs2)CC1
InChIInChI=1S/C10H16BrN3S/c1-2-13-3-5-14(6-4-13)10-12-9(7-11)8-15-10/h8H,2-7H2,1H3
InChIKeyLXYQSTIDPXTJPG-UHFFFAOYSA-N
MW290.23 g/mol
LogP2.18
Rot. Bonds3

About 4-(bromomethyl)-2-(4-ethylpiperazin-1-yl)-1,3-thiazole

4-(bromomethyl)-2-(4-ethylpiperazin-1-yl)-1,3-thiazole (PubChem CID 82514901) has the molecular formula C10H16BrN3S and a molecular weight of 290.23 g/mol. Its IUPAC name is 4-(bromomethyl)-2-(4-ethylpiperazin-1-yl)-1,3-thiazole.

Molecular Properties

Compound Name4-(bromomethyl)-2-(4-ethylpiperazin-1-yl)-1,3-thiazole
PubChem CID82514901
Molecular FormulaC10H16BrN3S
Molecular Weight290.23 g/mol
Exact Mass289.02
IUPAC Name4-(bromomethyl)-2-(4-ethylpiperazin-1-yl)-1,3-thiazole
SMILESCCN1CCN(c2nc(CBr)cs2)CC1
InChIInChI=1S/C10H16BrN3S/c1-2-13-3-5-14(6-4-13)10-12-9(7-11)8-15-10/h8H,2-7H2,1H3
InChIKeyLXYQSTIDPXTJPG-UHFFFAOYSA-N
XLogP2.18
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.23
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[2-(4-ethylpiperazin-1-yl)-1,3-thiazol-4-yl]methyl]cyclopentanamine
CID 82514904
2-[4-(4-ethyl-1,3-thiazol-2-yl)piperazin-1-yl]acetonitrile
CID 63337322
2-(4-ethylpiperazin-1-yl)-4-phenyl-1,3-thiazole
CID 102103813
4-[2-(4-ethylpiperazin-1-yl)-1,3-thiazol-4-yl]benzene-1,3-diol
CID 122668603
5-[2-(4-ethylpiperazin-1-yl)-1,3-thiazol-4-yl]-N-methyl-1,3,4-thiadiazol-2-amine
CID 82514892
2-[3-(bromomethyl)piperidin-1-yl]-4-ethyl-1,3-thiazole
CID 80673929
2-(4-bromoazepan-1-yl)-4-ethyl-1,3-thiazole
CID 130978942
4-(bromomethyl)-2-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazole
CID 82515456
ethane;N-methyl-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]ethenamine
CID 142463444
1-[1-(4-ethyl-1,3-thiazol-2-yl)piperidin-4-yl]ethanamine
CID 63595044
2-[4-(chloromethyl)piperidin-1-yl]-4-ethyl-1,3-thiazole
CID 63389754
3-[4-(4-ethyl-1,3-thiazol-2-yl)piperazin-1-yl]aniline
CID 62962466

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-2-(4-ethylpiperazin-1-yl)-1,3-thiazole?
The IUPAC name of 4-(bromomethyl)-2-(4-ethylpiperazin-1-yl)-1,3-thiazole (CID 82514901) is 4-(bromomethyl)-2-(4-ethylpiperazin-1-yl)-1,3-thiazole.
What is the SMILES notation for 4-(bromomethyl)-2-(4-ethylpiperazin-1-yl)-1,3-thiazole?
The canonical SMILES for 4-(bromomethyl)-2-(4-ethylpiperazin-1-yl)-1,3-thiazole is CCN1CCN(c2nc(CBr)cs2)CC1.
What is the InChIKey of 4-(bromomethyl)-2-(4-ethylpiperazin-1-yl)-1,3-thiazole?
The InChIKey is LXYQSTIDPXTJPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrN3S/c1-2-13-3-5-14(6-4-13)10-12-9(7-11)8-15-10/h8H,2-7H2,1H3.
What are the key properties of 4-(bromomethyl)-2-(4-ethylpiperazin-1-yl)-1,3-thiazole?
4-(bromomethyl)-2-(4-ethylpiperazin-1-yl)-1,3-thiazole has a molecular weight of 290.23 g/mol, XLogP of 2.18, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-2-(4-ethylpiperazin-1-yl)-1,3-thiazole is sourced from PubChem (CID 82514901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).