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

C14H18N2OS — CID 105106644

IUPAC1-[3-(dimethylamino)phenyl]-2-(2-methyl-1,3-thiazol-4-yl)ethanol
SMILESCc1nc(CC(O)c2cccc(N(C)C)c2)cs1
InChIInChI=1S/C14H18N2OS/c1-10-15-12(9-18-10)8-14(17)11-5-4-6-13(7-11)16(2)3/h4-7,9,14,17H,8H2,1-3H3
InChIKeyFYZLTZWCLRWYAX-UHFFFAOYSA-N
MW262.38 g/mol
LogP2.79
Rot. Bonds4

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

1-[3-(dimethylamino)phenyl]-2-(2-methyl-1,3-thiazol-4-yl)ethanol (PubChem CID 105106644) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is 1-[3-(dimethylamino)phenyl]-2-(2-methyl-1,3-thiazol-4-yl)ethanol.

Molecular Properties

Compound Name1-[3-(dimethylamino)phenyl]-2-(2-methyl-1,3-thiazol-4-yl)ethanol
PubChem CID105106644
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC Name1-[3-(dimethylamino)phenyl]-2-(2-methyl-1,3-thiazol-4-yl)ethanol
SMILESCc1nc(CC(O)c2cccc(N(C)C)c2)cs1
InChIInChI=1S/C14H18N2OS/c1-10-15-12(9-18-10)8-14(17)11-5-4-6-13(7-11)16(2)3/h4-7,9,14,17H,8H2,1-3H3
InChIKeyFYZLTZWCLRWYAX-UHFFFAOYSA-N
XLogP2.79
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(difluoromethyl)phenyl]-2-(2-methyl-1,3-thiazol-4-yl)ethanol
CID 113328508
1-(4-aminophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol
CID 106695570
1-(5-bromothiophen-3-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol
CID 105106635
1-(4-chlorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol
CID 62799150
4-[1-hydrazinyl-2-(2-methyl-1,3-thiazol-4-yl)ethyl]-N,N-dimethylaniline
CID 105316088
3-(2-methyl-1,3-thiazol-4-yl)-1-phenylpropane-1,2-diol
CID 103459359
1-[3-(dimethylamino)phenyl]-3-methylbut-3-en-1-ol
CID 105110020
2-(2-methyl-1,3-thiazol-4-yl)-1-(4-propan-2-yloxyphenyl)ethanol
CID 62799330
1-[3-(dimethylamino)phenyl]-3-methylbutan-1-ol
CID 105076156
1-(2-chlorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol
CID 62798973
2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-[3-(dimethylamino)phenyl]ethanol
CID 105106467
2-(2-methyl-1,3-thiazol-4-yl)-1-(2-methylthiophen-3-yl)ethanol
CID 102831271

Frequently Asked Questions

What is the IUPAC name of 1-[3-(dimethylamino)phenyl]-2-(2-methyl-1,3-thiazol-4-yl)ethanol?
The IUPAC name of 1-[3-(dimethylamino)phenyl]-2-(2-methyl-1,3-thiazol-4-yl)ethanol (CID 105106644) is 1-[3-(dimethylamino)phenyl]-2-(2-methyl-1,3-thiazol-4-yl)ethanol.
What is the SMILES notation for 1-[3-(dimethylamino)phenyl]-2-(2-methyl-1,3-thiazol-4-yl)ethanol?
The canonical SMILES for 1-[3-(dimethylamino)phenyl]-2-(2-methyl-1,3-thiazol-4-yl)ethanol is Cc1nc(CC(O)c2cccc(N(C)C)c2)cs1.
What is the InChIKey of 1-[3-(dimethylamino)phenyl]-2-(2-methyl-1,3-thiazol-4-yl)ethanol?
The InChIKey is FYZLTZWCLRWYAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c1-10-15-12(9-18-10)8-14(17)11-5-4-6-13(7-11)16(2)3/h4-7,9,14,17H,8H2,1-3H3.
What are the key properties of 1-[3-(dimethylamino)phenyl]-2-(2-methyl-1,3-thiazol-4-yl)ethanol?
1-[3-(dimethylamino)phenyl]-2-(2-methyl-1,3-thiazol-4-yl)ethanol has a molecular weight of 262.38 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(dimethylamino)phenyl]-2-(2-methyl-1,3-thiazol-4-yl)ethanol is sourced from PubChem (CID 105106644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).