2-(4-ethylphenyl)-2-[(2-methyl-1,3-thiazol-5-yl)methylamino]ethanol

C15H20N2OS — CID 109380344

IUPAC2-(4-ethylphenyl)-2-[(2-methyl-1,3-thiazol-5-yl)methylamino]ethanol
SMILESCCc1ccc(C(CO)NCc2cnc(C)s2)cc1
InChIInChI=1S/C15H20N2OS/c1-3-12-4-6-13(7-5-12)15(10-18)17-9-14-8-16-11(2)19-14/h4-8,15,17-18H,3,9-10H2,1-2H3
InChIKeyJNCWXCDAQGDBLV-UHFFFAOYSA-N
MW276.41 g/mol
LogP2.84
Rot. Bonds6

About 2-(4-ethylphenyl)-2-[(2-methyl-1,3-thiazol-5-yl)methylamino]ethanol

2-(4-ethylphenyl)-2-[(2-methyl-1,3-thiazol-5-yl)methylamino]ethanol (PubChem CID 109380344) has the molecular formula C15H20N2OS and a molecular weight of 276.41 g/mol. Its IUPAC name is 2-(4-ethylphenyl)-2-[(2-methyl-1,3-thiazol-5-yl)methylamino]ethanol.

Molecular Properties

Compound Name2-(4-ethylphenyl)-2-[(2-methyl-1,3-thiazol-5-yl)methylamino]ethanol
PubChem CID109380344
Molecular FormulaC15H20N2OS
Molecular Weight276.41 g/mol
Exact Mass276.13
IUPAC Name2-(4-ethylphenyl)-2-[(2-methyl-1,3-thiazol-5-yl)methylamino]ethanol
SMILESCCc1ccc(C(CO)NCc2cnc(C)s2)cc1
InChIInChI=1S/C15H20N2OS/c1-3-12-4-6-13(7-5-12)15(10-18)17-9-14-8-16-11(2)19-14/h4-8,15,17-18H,3,9-10H2,1-2H3
InChIKeyJNCWXCDAQGDBLV-UHFFFAOYSA-N
XLogP2.84
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methoxyphenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propan-1-amine
CID 60776811
(1S)-1-(4-chlorophenyl)-N',N'-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]ethane-1,2-diamine
CID 125141739
N',N'-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-phenylethane-1,2-diamine
CID 60777946
(2R)-2-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]-2-phenylethanol
CID 103766281
2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methylamino]-2-(4-ethylphenyl)ethanol
CID 75501649
2-(4-ethylphenyl)-2-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]ethanol
CID 109380363
2-[(1-ethylimidazol-2-yl)methylamino]-2-(4-ethylphenyl)ethanol
CID 109380397
1-(3-bromophenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propan-1-amine
CID 61282183
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(2-methyl-1,3-thiazol-5-yl)methylamino]ethanol
CID 61280625
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-(4-propan-2-yloxyphenyl)ethanamine
CID 60776659
1-[1-(4-ethylphenyl)-2-hydroxyethyl]-3-[(4-methyl-1,3-thiazol-5-yl)methyl]urea
CID 109389967
(2S)-1-[(2-methyl-1,3-thiazol-5-yl)methylamino]propan-2-ol
CID 93367091

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenyl)-2-[(2-methyl-1,3-thiazol-5-yl)methylamino]ethanol?
The IUPAC name of 2-(4-ethylphenyl)-2-[(2-methyl-1,3-thiazol-5-yl)methylamino]ethanol (CID 109380344) is 2-(4-ethylphenyl)-2-[(2-methyl-1,3-thiazol-5-yl)methylamino]ethanol.
What is the SMILES notation for 2-(4-ethylphenyl)-2-[(2-methyl-1,3-thiazol-5-yl)methylamino]ethanol?
The canonical SMILES for 2-(4-ethylphenyl)-2-[(2-methyl-1,3-thiazol-5-yl)methylamino]ethanol is CCc1ccc(C(CO)NCc2cnc(C)s2)cc1.
What is the InChIKey of 2-(4-ethylphenyl)-2-[(2-methyl-1,3-thiazol-5-yl)methylamino]ethanol?
The InChIKey is JNCWXCDAQGDBLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS/c1-3-12-4-6-13(7-5-12)15(10-18)17-9-14-8-16-11(2)19-14/h4-8,15,17-18H,3,9-10H2,1-2H3.
What are the key properties of 2-(4-ethylphenyl)-2-[(2-methyl-1,3-thiazol-5-yl)methylamino]ethanol?
2-(4-ethylphenyl)-2-[(2-methyl-1,3-thiazol-5-yl)methylamino]ethanol has a molecular weight of 276.41 g/mol, XLogP of 2.84, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenyl)-2-[(2-methyl-1,3-thiazol-5-yl)methylamino]ethanol is sourced from PubChem (CID 109380344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).