2-[(2-phenyl-1,3-thiazol-4-yl)methyl-prop-2-enylamino]ethanol

C15H18N2OS — CID 115631926

IUPAC2-[(2-phenyl-1,3-thiazol-4-yl)methyl-prop-2-enylamino]ethanol
SMILESC=CCN(CCO)Cc1csc(-c2ccccc2)n1
InChIInChI=1S/C15H18N2OS/c1-2-8-17(9-10-18)11-14-12-19-15(16-14)13-6-4-3-5-7-13/h2-7,12,18H,1,8-11H2
InChIKeyBUYUXFXEQREUJE-UHFFFAOYSA-N
MW274.39 g/mol
LogP2.79
Rot. Bonds7

About 2-[(2-phenyl-1,3-thiazol-4-yl)methyl-prop-2-enylamino]ethanol

2-[(2-phenyl-1,3-thiazol-4-yl)methyl-prop-2-enylamino]ethanol (PubChem CID 115631926) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is 2-[(2-phenyl-1,3-thiazol-4-yl)methyl-prop-2-enylamino]ethanol.

Molecular Properties

Compound Name2-[(2-phenyl-1,3-thiazol-4-yl)methyl-prop-2-enylamino]ethanol
PubChem CID115631926
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC Name2-[(2-phenyl-1,3-thiazol-4-yl)methyl-prop-2-enylamino]ethanol
SMILESC=CCN(CCO)Cc1csc(-c2ccccc2)n1
InChIInChI=1S/C15H18N2OS/c1-2-8-17(9-10-18)11-14-12-19-15(16-14)13-6-4-3-5-7-13/h2-7,12,18H,1,8-11H2
InChIKeyBUYUXFXEQREUJE-UHFFFAOYSA-N
XLogP2.79
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl-prop-2-enylamino]ethanol
CID 115633493
2-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl-prop-2-enylamino]ethanol
CID 111612970
2-[[2-(methylsulfonylmethyl)-1,3-thiazol-4-yl]methyl-prop-2-enylamino]ethanol
CID 111488137
2-[[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]methyl-(2-phenylethyl)amino]ethanol
CID 86942949
N-ethyl-N-[4-[[2-hydroxyethyl(prop-2-enyl)amino]methyl]-1,3-thiazol-2-yl]acetamide
CID 115631792
2-[prop-2-enyl(1,3-thiazol-4-ylmethyl)amino]ethanol
CID 115633439
2-phenyl-N,N-bis(prop-2-enyl)-1,3-thiazole-4-carboxamide
CID 134022260
2-[(6-chloro-3-nitro-2-pyridinyl)-[(2-phenyl-1,3-thiazol-4-yl)methyl]amino]ethanol
CID 155666830
ethane;4-ethyl-2-phenyl-1,3-thiazole
CID 91427044
2-[(5-phenyl-1,3-oxazol-2-yl)methyl-prop-2-enylamino]ethanol
CID 115631921
N'-methyl-N'-[(2-phenyl-1,3-thiazol-4-yl)methyl]ethane-1,2-diamine
CID 55103704
2-[4-[[2-hydroxyethyl(prop-2-enyl)amino]methyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide
CID 111496598

Frequently Asked Questions

What is the IUPAC name of 2-[(2-phenyl-1,3-thiazol-4-yl)methyl-prop-2-enylamino]ethanol?
The IUPAC name of 2-[(2-phenyl-1,3-thiazol-4-yl)methyl-prop-2-enylamino]ethanol (CID 115631926) is 2-[(2-phenyl-1,3-thiazol-4-yl)methyl-prop-2-enylamino]ethanol.
What is the SMILES notation for 2-[(2-phenyl-1,3-thiazol-4-yl)methyl-prop-2-enylamino]ethanol?
The canonical SMILES for 2-[(2-phenyl-1,3-thiazol-4-yl)methyl-prop-2-enylamino]ethanol is C=CCN(CCO)Cc1csc(-c2ccccc2)n1.
What is the InChIKey of 2-[(2-phenyl-1,3-thiazol-4-yl)methyl-prop-2-enylamino]ethanol?
The InChIKey is BUYUXFXEQREUJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS/c1-2-8-17(9-10-18)11-14-12-19-15(16-14)13-6-4-3-5-7-13/h2-7,12,18H,1,8-11H2.
What are the key properties of 2-[(2-phenyl-1,3-thiazol-4-yl)methyl-prop-2-enylamino]ethanol?
2-[(2-phenyl-1,3-thiazol-4-yl)methyl-prop-2-enylamino]ethanol has a molecular weight of 274.39 g/mol, XLogP of 2.79, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-phenyl-1,3-thiazol-4-yl)methyl-prop-2-enylamino]ethanol is sourced from PubChem (CID 115631926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).