2-amino-2-[2-(3-bromophenyl)-4-methyl-1,3-thiazol-5-yl]ethanol

C12H13BrN2OS — CID 116886706

IUPAC2-amino-2-[2-(3-bromophenyl)-4-methyl-1,3-thiazol-5-yl]ethanol
SMILESCc1nc(-c2cccc(Br)c2)sc1C(N)CO
InChIInChI=1S/C12H13BrN2OS/c1-7-11(10(14)6-16)17-12(15-7)8-3-2-4-9(13)5-8/h2-5,10,16H,6,14H2,1H3
InChIKeyRYKBRFQJAJIRGI-UHFFFAOYSA-N
MW313.22 g/mol
LogP2.87
Rot. Bonds3

About 2-amino-2-[2-(3-bromophenyl)-4-methyl-1,3-thiazol-5-yl]ethanol

2-amino-2-[2-(3-bromophenyl)-4-methyl-1,3-thiazol-5-yl]ethanol (PubChem CID 116886706) has the molecular formula C12H13BrN2OS and a molecular weight of 313.22 g/mol. Its IUPAC name is 2-amino-2-[2-(3-bromophenyl)-4-methyl-1,3-thiazol-5-yl]ethanol.

Molecular Properties

Compound Name2-amino-2-[2-(3-bromophenyl)-4-methyl-1,3-thiazol-5-yl]ethanol
PubChem CID116886706
Molecular FormulaC12H13BrN2OS
Molecular Weight313.22 g/mol
Exact Mass311.99
IUPAC Name2-amino-2-[2-(3-bromophenyl)-4-methyl-1,3-thiazol-5-yl]ethanol
SMILESCc1nc(-c2cccc(Br)c2)sc1C(N)CO
InChIInChI=1S/C12H13BrN2OS/c1-7-11(10(14)6-16)17-12(15-7)8-3-2-4-9(13)5-8/h2-5,10,16H,6,14H2,1H3
InChIKeyRYKBRFQJAJIRGI-UHFFFAOYSA-N
XLogP2.87
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.22
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(3-bromophenyl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine
CID 61287610
2-[2-(3-bromophenyl)-4-methyl-1,3-thiazol-5-yl]propanoic acid
CID 116885504
2-amino-2-[4-methyl-2-(1H-pyrrol-2-yl)-1,3-thiazol-5-yl]ethanol
CID 136988683
2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]butan-1-ol
CID 116887170
2-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]propan-1-amine
CID 116884603
2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-3-methylbutan-1-ol
CID 116891373
3-[2-(3-bromophenyl)-4-methyl-1,3-thiazol-5-yl]-N-methylpropan-1-amine
CID 116884770
ethyl 5-amino-2-(3-bromophenyl)-1,3-thiazole-4-carboxylate
CID 122508668
1-[2-(3-bromophenyl)-4-methyl-1,3-thiazol-5-yl]cyclopropane-1-carbonitrile
CID 116886817
(1S)-1-[2-(4-bromophenyl)-4-methyl-1,3-thiazol-5-yl]ethanol
CID 94001078
1-[2-(4-bromo-3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethanamine
CID 81440491
2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)butan-1-amine
CID 116887194

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[2-(3-bromophenyl)-4-methyl-1,3-thiazol-5-yl]ethanol?
The IUPAC name of 2-amino-2-[2-(3-bromophenyl)-4-methyl-1,3-thiazol-5-yl]ethanol (CID 116886706) is 2-amino-2-[2-(3-bromophenyl)-4-methyl-1,3-thiazol-5-yl]ethanol.
What is the SMILES notation for 2-amino-2-[2-(3-bromophenyl)-4-methyl-1,3-thiazol-5-yl]ethanol?
The canonical SMILES for 2-amino-2-[2-(3-bromophenyl)-4-methyl-1,3-thiazol-5-yl]ethanol is Cc1nc(-c2cccc(Br)c2)sc1C(N)CO.
What is the InChIKey of 2-amino-2-[2-(3-bromophenyl)-4-methyl-1,3-thiazol-5-yl]ethanol?
The InChIKey is RYKBRFQJAJIRGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2OS/c1-7-11(10(14)6-16)17-12(15-7)8-3-2-4-9(13)5-8/h2-5,10,16H,6,14H2,1H3.
What are the key properties of 2-amino-2-[2-(3-bromophenyl)-4-methyl-1,3-thiazol-5-yl]ethanol?
2-amino-2-[2-(3-bromophenyl)-4-methyl-1,3-thiazol-5-yl]ethanol has a molecular weight of 313.22 g/mol, XLogP of 2.87, 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-bromophenyl)-4-methyl-1,3-thiazol-5-yl]ethanol is sourced from PubChem (CID 116886706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).