2-[benzyl-[2-[4-(chloromethyl)-1,3-thiazol-2-yl]ethyl]amino]ethanol

C15H19ClN2OS — CID 62114609

IUPAC2-[benzyl-[2-[4-(chloromethyl)-1,3-thiazol-2-yl]ethyl]amino]ethanol
SMILESOCCN(CCc1nc(CCl)cs1)Cc1ccccc1
InChIInChI=1S/C15H19ClN2OS/c16-10-14-12-20-15(17-14)6-7-18(8-9-19)11-13-4-2-1-3-5-13/h1-5,12,19H,6-11H2
InChIKeyYDKZCFLSOUYUAH-UHFFFAOYSA-N
MW310.85 g/mol
LogP2.92
Rot. Bonds8

About 2-[benzyl-[2-[4-(chloromethyl)-1,3-thiazol-2-yl]ethyl]amino]ethanol

2-[benzyl-[2-[4-(chloromethyl)-1,3-thiazol-2-yl]ethyl]amino]ethanol (PubChem CID 62114609) has the molecular formula C15H19ClN2OS and a molecular weight of 310.85 g/mol. Its IUPAC name is 2-[benzyl-[2-[4-(chloromethyl)-1,3-thiazol-2-yl]ethyl]amino]ethanol.

Molecular Properties

Compound Name2-[benzyl-[2-[4-(chloromethyl)-1,3-thiazol-2-yl]ethyl]amino]ethanol
PubChem CID62114609
Molecular FormulaC15H19ClN2OS
Molecular Weight310.85 g/mol
Exact Mass310.09
IUPAC Name2-[benzyl-[2-[4-(chloromethyl)-1,3-thiazol-2-yl]ethyl]amino]ethanol
SMILESOCCN(CCc1nc(CCl)cs1)Cc1ccccc1
InChIInChI=1S/C15H19ClN2OS/c16-10-14-12-20-15(17-14)6-7-18(8-9-19)11-13-4-2-1-3-5-13/h1-5,12,19H,6-11H2
InChIKeyYDKZCFLSOUYUAH-UHFFFAOYSA-N
XLogP2.92
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.85
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(Chloromethyl)-2-phenyl-1,3-thiazole
CID 236969
(4-Phenyl-1,3-thiazol-2-yl)methanol
CID 698895
(4-(4-Chlorophenyl)thiazol-2-yl)methanol
CID 2726647
3-(2-Hydroxyethyl)-2-methyl-4-phenyl-1,3-thiazol-3-ium
CID 789667
2-[[4-[2-(4-Chlorophenyl)thiazol-4-yl]phenyl]methyl-methyl-amino]ethanol
CID 5270996
1-[Benzyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]-2-methylpropan-2-ol
CID 84598812
4-[[4-[4-(Chloromethyl)-1,3-thiazol-2-yl]-2-fluorophenyl]methyl]morpholine
CID 43138287
N-[[4-[4-(chloromethyl)-1,3-thiazol-2-yl]-2-fluorophenyl]methyl]-N-methylpropan-2-amine
CID 43138344
3-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-[(3-fluorophenyl)methyl]-N-methylpropan-1-amine
CID 43138395
N-[[4-[4-(chloromethyl)-1,3-thiazol-2-yl]-2-fluorophenyl]methyl]-N-methylethanamine
CID 43263637
N-[[5-[4-(chloromethyl)-1,3-thiazol-2-yl]-2-fluorophenyl]methyl]-N-methylethanamine
CID 43263639
N-[[4-[4-(chloromethyl)-1,3-thiazol-2-yl]-2-fluorophenyl]methyl]-N-ethylpropan-1-amine
CID 43269008

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-[2-[4-(chloromethyl)-1,3-thiazol-2-yl]ethyl]amino]ethanol?
The IUPAC name of 2-[benzyl-[2-[4-(chloromethyl)-1,3-thiazol-2-yl]ethyl]amino]ethanol (CID 62114609) is 2-[benzyl-[2-[4-(chloromethyl)-1,3-thiazol-2-yl]ethyl]amino]ethanol.
What is the SMILES notation for 2-[benzyl-[2-[4-(chloromethyl)-1,3-thiazol-2-yl]ethyl]amino]ethanol?
The canonical SMILES for 2-[benzyl-[2-[4-(chloromethyl)-1,3-thiazol-2-yl]ethyl]amino]ethanol is OCCN(CCc1nc(CCl)cs1)Cc1ccccc1.
What is the InChIKey of 2-[benzyl-[2-[4-(chloromethyl)-1,3-thiazol-2-yl]ethyl]amino]ethanol?
The InChIKey is YDKZCFLSOUYUAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2OS/c16-10-14-12-20-15(17-14)6-7-18(8-9-19)11-13-4-2-1-3-5-13/h1-5,12,19H,6-11H2.
What are the key properties of 2-[benzyl-[2-[4-(chloromethyl)-1,3-thiazol-2-yl]ethyl]amino]ethanol?
2-[benzyl-[2-[4-(chloromethyl)-1,3-thiazol-2-yl]ethyl]amino]ethanol has a molecular weight of 310.85 g/mol, XLogP of 2.92, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-[2-[4-(chloromethyl)-1,3-thiazol-2-yl]ethyl]amino]ethanol is sourced from PubChem (CID 62114609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).