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

C14H18N2OS — CID 116890712

IUPAC2-amino-1-[2-(2,3,4-trimethylphenyl)-1,3-thiazol-4-yl]ethanol
SMILESCc1ccc(-c2nc(C(O)CN)cs2)c(C)c1C
InChIInChI=1S/C14H18N2OS/c1-8-4-5-11(10(3)9(8)2)14-16-12(7-18-14)13(17)6-15/h4-5,7,13,17H,6,15H2,1-3H3
InChIKeyJGQMAFQIBVQHIQ-UHFFFAOYSA-N
MW262.38 g/mol
LogP2.73
Rot. Bonds3

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

2-amino-1-[2-(2,3,4-trimethylphenyl)-1,3-thiazol-4-yl]ethanol (PubChem CID 116890712) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is 2-amino-1-[2-(2,3,4-trimethylphenyl)-1,3-thiazol-4-yl]ethanol.

Molecular Properties

Compound Name2-amino-1-[2-(2,3,4-trimethylphenyl)-1,3-thiazol-4-yl]ethanol
PubChem CID116890712
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC Name2-amino-1-[2-(2,3,4-trimethylphenyl)-1,3-thiazol-4-yl]ethanol
SMILESCc1ccc(-c2nc(C(O)CN)cs2)c(C)c1C
InChIInChI=1S/C14H18N2OS/c1-8-4-5-11(10(3)9(8)2)14-16-12(7-18-14)13(17)6-15/h4-5,7,13,17H,6,15H2,1-3H3
InChIKeyJGQMAFQIBVQHIQ-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-(2,3,4-trimethylphenyl)-1,3-thiazol-4-yl]methanamine
CID 116868210
(1R)-2-amino-1-(2-methyl-1,3-thiazol-4-yl)ethanol
CID 28819519
2-amino-1-(2-phenyl-1,3-thiazol-4-yl)ethanol
CID 14076241
2-amino-1-[2-(2,5-difluorophenyl)-1,3-thiazol-4-yl]ethanol
CID 116890686
2-amino-1-[2-(5-bromothiophen-2-yl)-1,3-thiazol-4-yl]ethanol
CID 116890681
3-[2-(2,3,4-trimethylphenyl)-1,3-thiazol-4-yl]propan-1-amine
CID 116888287
2-amino-1-[2-(5-bromo-2-fluorophenyl)-1,3-thiazol-4-yl]ethanol
CID 116890698
2-[2-(2,3,4-trimethylphenyl)-1,3-thiazol-4-yl]propan-2-amine
CID 116888112
N-methyl-2-(2,3,4-trimethylphenyl)-1,3-thiazol-4-amine
CID 116864476
2-amino-1-(2-propyl-1,3-thiazol-4-yl)ethanol
CID 19974126
ethyl (3R)-3-hydroxy-3-(2-phenyl-1,3-thiazol-4-yl)propanoate
CID 102139996
4-[4-[(1S)-2-amino-1-hydroxyethyl]-1,3-thiazol-2-yl]-3-(2-methyl-6-phenylpyrimidin-4-yl)oxybenzonitrile
CID 167429422

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[2-(2,3,4-trimethylphenyl)-1,3-thiazol-4-yl]ethanol?
The IUPAC name of 2-amino-1-[2-(2,3,4-trimethylphenyl)-1,3-thiazol-4-yl]ethanol (CID 116890712) is 2-amino-1-[2-(2,3,4-trimethylphenyl)-1,3-thiazol-4-yl]ethanol.
What is the SMILES notation for 2-amino-1-[2-(2,3,4-trimethylphenyl)-1,3-thiazol-4-yl]ethanol?
The canonical SMILES for 2-amino-1-[2-(2,3,4-trimethylphenyl)-1,3-thiazol-4-yl]ethanol is Cc1ccc(-c2nc(C(O)CN)cs2)c(C)c1C.
What is the InChIKey of 2-amino-1-[2-(2,3,4-trimethylphenyl)-1,3-thiazol-4-yl]ethanol?
The InChIKey is JGQMAFQIBVQHIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c1-8-4-5-11(10(3)9(8)2)14-16-12(7-18-14)13(17)6-15/h4-5,7,13,17H,6,15H2,1-3H3.
What are the key properties of 2-amino-1-[2-(2,3,4-trimethylphenyl)-1,3-thiazol-4-yl]ethanol?
2-amino-1-[2-(2,3,4-trimethylphenyl)-1,3-thiazol-4-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-1-[2-(2,3,4-trimethylphenyl)-1,3-thiazol-4-yl]ethanol is sourced from PubChem (CID 116890712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).