1-(4-aminophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol

C12H14N2OS — CID 106695570

IUPAC1-(4-aminophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol
SMILESCc1nc(CC(O)c2ccc(N)cc2)cs1
InChIInChI=1S/C12H14N2OS/c1-8-14-11(7-16-8)6-12(15)9-2-4-10(13)5-3-9/h2-5,7,12,15H,6,13H2,1H3
InChIKeyJPSOXWWMGNMHPB-UHFFFAOYSA-N
MW234.32 g/mol
LogP2.31
Rot. Bonds3

About 1-(4-aminophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol

1-(4-aminophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol (PubChem CID 106695570) has the molecular formula C12H14N2OS and a molecular weight of 234.32 g/mol. Its IUPAC name is 1-(4-aminophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol.

Molecular Properties

Compound Name1-(4-aminophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol
PubChem CID106695570
Molecular FormulaC12H14N2OS
Molecular Weight234.32 g/mol
Exact Mass234.08
IUPAC Name1-(4-aminophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol
SMILESCc1nc(CC(O)c2ccc(N)cc2)cs1
InChIInChI=1S/C12H14N2OS/c1-8-14-11(7-16-8)6-12(15)9-2-4-10(13)5-3-9/h2-5,7,12,15H,6,13H2,1H3
InChIKeyJPSOXWWMGNMHPB-UHFFFAOYSA-N
XLogP2.31
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(difluoromethyl)phenyl]-2-(2-methyl-1,3-thiazol-4-yl)ethanol
CID 113328508
1-(4-chlorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol
CID 62799150
2-(2-methyl-1,3-thiazol-4-yl)-1-(4-propan-2-yloxyphenyl)ethanol
CID 62799330
2-(2-methyl-1,3-thiazol-4-yl)-1-(4-propoxyphenyl)ethanol
CID 62799154
1-(5-bromothiophen-3-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol
CID 105106635
2-(2-methyl-1,3-thiazol-4-yl)-1-(2-methylthiophen-3-yl)ethanol
CID 102831271
3-(2-methyl-1,3-thiazol-4-yl)-1-phenylpropane-1,2-diol
CID 103459359
1-[3-(dimethylamino)phenyl]-2-(2-methyl-1,3-thiazol-4-yl)ethanol
CID 105106644
4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]aniline
CID 43299423
2-(2-methyl-1,3-thiazol-4-yl)-1-(2,3,4,5,6-pentafluorophenyl)ethanol
CID 115811976
1-(2-chlorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol
CID 62798973
1-(2-methylpyrimidin-4-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol
CID 115528070

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol?
The IUPAC name of 1-(4-aminophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol (CID 106695570) is 1-(4-aminophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol.
What is the SMILES notation for 1-(4-aminophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol?
The canonical SMILES for 1-(4-aminophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol is Cc1nc(CC(O)c2ccc(N)cc2)cs1.
What is the InChIKey of 1-(4-aminophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol?
The InChIKey is JPSOXWWMGNMHPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2OS/c1-8-14-11(7-16-8)6-12(15)9-2-4-10(13)5-3-9/h2-5,7,12,15H,6,13H2,1H3.
What are the key properties of 1-(4-aminophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol?
1-(4-aminophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol has a molecular weight of 234.32 g/mol, XLogP of 2.31, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol is sourced from PubChem (CID 106695570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).