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

C12H14N2OS — CID 116966783

IUPAC2-amino-2-[4-(3-methylphenyl)-1,3-thiazol-2-yl]ethanol
SMILESCc1cccc(-c2csc(C(N)CO)n2)c1
InChIInChI=1S/C12H14N2OS/c1-8-3-2-4-9(5-8)11-7-16-12(14-11)10(13)6-15/h2-5,7,10,15H,6,13H2,1H3
InChIKeyXBCRFSQQEQYPBF-UHFFFAOYSA-N
MW234.32 g/mol
LogP2.11
Rot. Bonds3

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

2-amino-2-[4-(3-methylphenyl)-1,3-thiazol-2-yl]ethanol (PubChem CID 116966783) has the molecular formula C12H14N2OS and a molecular weight of 234.32 g/mol. Its IUPAC name is 2-amino-2-[4-(3-methylphenyl)-1,3-thiazol-2-yl]ethanol.

Molecular Properties

Compound Name2-amino-2-[4-(3-methylphenyl)-1,3-thiazol-2-yl]ethanol
PubChem CID116966783
Molecular FormulaC12H14N2OS
Molecular Weight234.32 g/mol
Exact Mass234.08
IUPAC Name2-amino-2-[4-(3-methylphenyl)-1,3-thiazol-2-yl]ethanol
SMILESCc1cccc(-c2csc(C(N)CO)n2)c1
InChIInChI=1S/C12H14N2OS/c1-8-3-2-4-9(5-8)11-7-16-12(14-11)10(13)6-15/h2-5,7,10,15H,6,13H2,1H3
InChIKeyXBCRFSQQEQYPBF-UHFFFAOYSA-N
XLogP2.11
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 ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-2-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]ethanol
CID 116966767
1-[4-(3-methylphenyl)-1,3-thiazol-2-yl]propan-2-amine
CID 62653041
3-[4-(3-methylphenyl)-1,3-thiazol-2-yl]propan-1-ol
CID 115039739
ethane;2-methyl-4-(3-methylphenyl)-1,3-thiazole
CID 142374611
1-[4-(3-methylphenyl)-1,3-thiazol-2-yl]propan-2-one
CID 116966447
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
4-[hydroxy-[4-(3-methylphenyl)-1,3-thiazol-2-yl]methyl]benzoic acid
CID 58127709
1-(4-naphthalen-2-yl-1,3-thiazol-2-yl)butan-1-amine
CID 61338017
3-methyl-2-(4-phenyl-1,3-thiazol-2-yl)butan-1-ol
CID 116967334
4-(3-methylphenyl)-N-propyl-1,3-thiazol-2-amine
CID 62943868
1-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-2-methylpropan-1-amine
CID 61337834

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[4-(3-methylphenyl)-1,3-thiazol-2-yl]ethanol?
The IUPAC name of 2-amino-2-[4-(3-methylphenyl)-1,3-thiazol-2-yl]ethanol (CID 116966783) is 2-amino-2-[4-(3-methylphenyl)-1,3-thiazol-2-yl]ethanol.
What is the SMILES notation for 2-amino-2-[4-(3-methylphenyl)-1,3-thiazol-2-yl]ethanol?
The canonical SMILES for 2-amino-2-[4-(3-methylphenyl)-1,3-thiazol-2-yl]ethanol is Cc1cccc(-c2csc(C(N)CO)n2)c1.
What is the InChIKey of 2-amino-2-[4-(3-methylphenyl)-1,3-thiazol-2-yl]ethanol?
The InChIKey is XBCRFSQQEQYPBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2OS/c1-8-3-2-4-9(5-8)11-7-16-12(14-11)10(13)6-15/h2-5,7,10,15H,6,13H2,1H3.
What are the key properties of 2-amino-2-[4-(3-methylphenyl)-1,3-thiazol-2-yl]ethanol?
2-amino-2-[4-(3-methylphenyl)-1,3-thiazol-2-yl]ethanol has a molecular weight of 234.32 g/mol, XLogP of 2.11, 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-(3-methylphenyl)-1,3-thiazol-2-yl]ethanol is sourced from PubChem (CID 116966783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).