2-amino-2-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]ethanol

C14H18N2OS — CID 116966767

IUPAC2-amino-2-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]ethanol
SMILESCc1cc(C)c(-c2csc(C(N)CO)n2)c(C)c1
InChIInChI=1S/C14H18N2OS/c1-8-4-9(2)13(10(3)5-8)12-7-18-14(16-12)11(15)6-17/h4-5,7,11,17H,6,15H2,1-3H3
InChIKeyQTKIASDFZTXGMY-UHFFFAOYSA-N
MW262.38 g/mol
LogP2.73
Rot. Bonds3

About 2-amino-2-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]ethanol

2-amino-2-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]ethanol (PubChem CID 116966767) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is 2-amino-2-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]ethanol.

Molecular Properties

Compound Name2-amino-2-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]ethanol
PubChem CID116966767
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC Name2-amino-2-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]ethanol
SMILESCc1cc(C)c(-c2csc(C(N)CO)n2)c(C)c1
InChIInChI=1S/C14H18N2OS/c1-8-4-9(2)13(10(3)5-8)12-7-18-14(16-12)11(15)6-17/h4-5,7,11,17H,6,15H2,1-3H3
InChIKeyQTKIASDFZTXGMY-UHFFFAOYSA-N
XLogP2.73
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-2-[4-(3-methylphenyl)-1,3-thiazol-2-yl]ethanol
CID 116966783
2-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]acetic acid
CID 4316740
3-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]propanoic acid
CID 94284207
N-methyl-4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-amine
CID 60642187
2-amino-2-(4-cyclopentyl-1,3-thiazol-2-yl)ethanol
CID 116966791
2-amino-2-[4-(1,3-benzoxazol-6-yl)-1,3-thiazol-2-yl]ethanol
CID 116966777
2-amino-2-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]ethanol
CID 116966779
1-[4-(2,3,5,6-tetramethylphenyl)-1,3-thiazol-2-yl]ethanol
CID 116867562
2-(4-methylphenyl)-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 43951110
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 42965350
(1S)-1-(4-methyl-1,3-thiazol-2-yl)propan-1-amine
CID 42078005
4-[4-(3,5-dimethylphenoxy)-2,6-dimethylphenyl]-1,3-thiazol-2-amine
CID 159452230

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]ethanol?
The IUPAC name of 2-amino-2-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]ethanol (CID 116966767) is 2-amino-2-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]ethanol.
What is the SMILES notation for 2-amino-2-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]ethanol?
The canonical SMILES for 2-amino-2-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]ethanol is Cc1cc(C)c(-c2csc(C(N)CO)n2)c(C)c1.
What is the InChIKey of 2-amino-2-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]ethanol?
The InChIKey is QTKIASDFZTXGMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c1-8-4-9(2)13(10(3)5-8)12-7-18-14(16-12)11(15)6-17/h4-5,7,11,17H,6,15H2,1-3H3.
What are the key properties of 2-amino-2-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]ethanol?
2-amino-2-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]ethanol has a molecular weight of 262.38 g/mol, XLogP of 2.73, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]ethanol is sourced from PubChem (CID 116966767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).