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

C13H16N2OS — CID 116890605

IUPAC2-amino-2-[2-(3,4-dimethylphenyl)-1,3-thiazol-4-yl]ethanol
SMILESCc1ccc(-c2nc(C(N)CO)cs2)cc1C
InChIInChI=1S/C13H16N2OS/c1-8-3-4-10(5-9(8)2)13-15-12(7-17-13)11(14)6-16/h3-5,7,11,16H,6,14H2,1-2H3
InChIKeyACPYQCQEGTWAHR-UHFFFAOYSA-N
MW248.35 g/mol
LogP2.42
Rot. Bonds3

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

2-amino-2-[2-(3,4-dimethylphenyl)-1,3-thiazol-4-yl]ethanol (PubChem CID 116890605) has the molecular formula C13H16N2OS and a molecular weight of 248.35 g/mol. Its IUPAC name is 2-amino-2-[2-(3,4-dimethylphenyl)-1,3-thiazol-4-yl]ethanol.

Molecular Properties

Compound Name2-amino-2-[2-(3,4-dimethylphenyl)-1,3-thiazol-4-yl]ethanol
PubChem CID116890605
Molecular FormulaC13H16N2OS
Molecular Weight248.35 g/mol
Exact Mass248.10
IUPAC Name2-amino-2-[2-(3,4-dimethylphenyl)-1,3-thiazol-4-yl]ethanol
SMILESCc1ccc(-c2nc(C(N)CO)cs2)cc1C
InChIInChI=1S/C13H16N2OS/c1-8-3-4-10(5-9(8)2)13-15-12(7-17-13)11(14)6-16/h3-5,7,11,16H,6,14H2,1-2H3
InChIKeyACPYQCQEGTWAHR-UHFFFAOYSA-N
XLogP2.42
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(3,4-dimethylphenyl)-1,3-thiazol-4-yl]propan-2-ol
CID 116890539
2-amino-2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]ethanol
CID 116890620
2-amino-2-[2-(5-bromo-2-fluorophenyl)-1,3-thiazol-4-yl]ethanol
CID 116890638
4-[4-(1-aminoethyl)-1,3-thiazol-2-yl]benzene-1,2-diol
CID 136889178
2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]butan-1-ol
CID 116891278
2-(3-chloro-4-methylphenyl)-4-propan-2-yl-1,3-thiazole
CID 165458129
3-methyl-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]butan-1-ol
CID 116891362
2-[2-(3,4-dimethylphenyl)-1,3-thiazol-4-yl]acetonitrile
CID 116889988
4-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-2-fluorophenol
CID 136813722
N-ethyl-1-[2-(4-fluoro-3-methylphenyl)-1,3-thiazol-4-yl]ethanamine
CID 64544285
[2-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]phenyl]methanamine
CID 20983796
(1S)-1-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethanol
CID 102442271

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[2-(3,4-dimethylphenyl)-1,3-thiazol-4-yl]ethanol?
The IUPAC name of 2-amino-2-[2-(3,4-dimethylphenyl)-1,3-thiazol-4-yl]ethanol (CID 116890605) is 2-amino-2-[2-(3,4-dimethylphenyl)-1,3-thiazol-4-yl]ethanol.
What is the SMILES notation for 2-amino-2-[2-(3,4-dimethylphenyl)-1,3-thiazol-4-yl]ethanol?
The canonical SMILES for 2-amino-2-[2-(3,4-dimethylphenyl)-1,3-thiazol-4-yl]ethanol is Cc1ccc(-c2nc(C(N)CO)cs2)cc1C.
What is the InChIKey of 2-amino-2-[2-(3,4-dimethylphenyl)-1,3-thiazol-4-yl]ethanol?
The InChIKey is ACPYQCQEGTWAHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2OS/c1-8-3-4-10(5-9(8)2)13-15-12(7-17-13)11(14)6-16/h3-5,7,11,16H,6,14H2,1-2H3.
What are the key properties of 2-amino-2-[2-(3,4-dimethylphenyl)-1,3-thiazol-4-yl]ethanol?
2-amino-2-[2-(3,4-dimethylphenyl)-1,3-thiazol-4-yl]ethanol has a molecular weight of 248.35 g/mol, XLogP of 2.42, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[2-(3,4-dimethylphenyl)-1,3-thiazol-4-yl]ethanol is sourced from PubChem (CID 116890605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).