2-[4-[2-(aminomethyl)-1,3-thiazol-4-yl]phenyl]ethanol

C12H14N2OS — CID 177213741

IUPAC2-[4-[2-(aminomethyl)-1,3-thiazol-4-yl]phenyl]ethanol
SMILESNCc1nc(-c2ccc(CCO)cc2)cs1
InChIInChI=1S/C12H14N2OS/c13-7-12-14-11(8-16-12)10-3-1-9(2-4-10)5-6-15/h1-4,8,15H,5-7,13H2
InChIKeyBDYZOJLJSBMFDU-UHFFFAOYSA-N
MW234.32 g/mol
LogP1.80
Rot. Bonds4

About 2-[4-[2-(aminomethyl)-1,3-thiazol-4-yl]phenyl]ethanol

2-[4-[2-(aminomethyl)-1,3-thiazol-4-yl]phenyl]ethanol (PubChem CID 177213741) has the molecular formula C12H14N2OS and a molecular weight of 234.32 g/mol. Its IUPAC name is 2-[4-[2-(aminomethyl)-1,3-thiazol-4-yl]phenyl]ethanol.

Molecular Properties

Compound Name2-[4-[2-(aminomethyl)-1,3-thiazol-4-yl]phenyl]ethanol
PubChem CID177213741
Molecular FormulaC12H14N2OS
Molecular Weight234.32 g/mol
Exact Mass234.08
IUPAC Name2-[4-[2-(aminomethyl)-1,3-thiazol-4-yl]phenyl]ethanol
SMILESNCc1nc(-c2ccc(CCO)cc2)cs1
InChIInChI=1S/C12H14N2OS/c13-7-12-14-11(8-16-12)10-3-1-9(2-4-10)5-6-15/h1-4,8,15H,5-7,13H2
InChIKeyBDYZOJLJSBMFDU-UHFFFAOYSA-N
XLogP1.80
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(4-propylphenyl)-1,3-thiazol-2-yl]ethanol
CID 94267224
[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methanamine
CID 3299475
[4-(2-benzyl-1,3-thiazol-4-yl)phenyl]methanamine
CID 63152013
4-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]methyl]phenol
CID 53391458
2-(chloromethyl)-4-(4-propylphenyl)-1,3-thiazole
CID 62923597
2-[4-(4-ethylsulfanylphenyl)-1,3-thiazol-2-yl]ethanol
CID 116867767
[4-(1H-pyrrol-3-yl)-1,3-thiazol-2-yl]methanamine
CID 82280712
[4-[4-(1-adamantyl)phenyl]-1,3-thiazol-2-yl]methanamine;hydrobromide
CID 162671953
N'-[2-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]ethyl]ethane-1,2-diamine
CID 82102821
[4-(2,3,4,5,6-pentadeuteriophenyl)-1,3-thiazol-2-yl]methanamine;hydrochloride
CID 171380508
4-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]butan-2-amine
CID 116965129
[4-(1-methylpyrrol-3-yl)-1,3-thiazol-2-yl]methanamine
CID 82281663

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(aminomethyl)-1,3-thiazol-4-yl]phenyl]ethanol?
The IUPAC name of 2-[4-[2-(aminomethyl)-1,3-thiazol-4-yl]phenyl]ethanol (CID 177213741) is 2-[4-[2-(aminomethyl)-1,3-thiazol-4-yl]phenyl]ethanol.
What is the SMILES notation for 2-[4-[2-(aminomethyl)-1,3-thiazol-4-yl]phenyl]ethanol?
The canonical SMILES for 2-[4-[2-(aminomethyl)-1,3-thiazol-4-yl]phenyl]ethanol is NCc1nc(-c2ccc(CCO)cc2)cs1.
What is the InChIKey of 2-[4-[2-(aminomethyl)-1,3-thiazol-4-yl]phenyl]ethanol?
The InChIKey is BDYZOJLJSBMFDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2OS/c13-7-12-14-11(8-16-12)10-3-1-9(2-4-10)5-6-15/h1-4,8,15H,5-7,13H2.
What are the key properties of 2-[4-[2-(aminomethyl)-1,3-thiazol-4-yl]phenyl]ethanol?
2-[4-[2-(aminomethyl)-1,3-thiazol-4-yl]phenyl]ethanol has a molecular weight of 234.32 g/mol, XLogP of 1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(aminomethyl)-1,3-thiazol-4-yl]phenyl]ethanol is sourced from PubChem (CID 177213741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).