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

C12H12BrNOS — CID 94001078

IUPAC(1S)-1-[2-(4-bromophenyl)-4-methyl-1,3-thiazol-5-yl]ethanol
SMILESCc1nc(-c2ccc(Br)cc2)sc1[C@H](C)O
InChIInChI=1S/C12H12BrNOS/c1-7-11(8(2)15)16-12(14-7)9-3-5-10(13)6-4-9/h3-6,8,15H,1-2H3/t8-/m0/s1
InChIKeyQMRHMRNGDXFMPD-QMMMGPOBSA-N
MW298.21 g/mol
LogP3.93
Rot. Bonds2

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

(1S)-1-[2-(4-bromophenyl)-4-methyl-1,3-thiazol-5-yl]ethanol (PubChem CID 94001078) has the molecular formula C12H12BrNOS and a molecular weight of 298.21 g/mol. Its IUPAC name is (1S)-1-[2-(4-bromophenyl)-4-methyl-1,3-thiazol-5-yl]ethanol.

Molecular Properties

Compound Name(1S)-1-[2-(4-bromophenyl)-4-methyl-1,3-thiazol-5-yl]ethanol
PubChem CID94001078
Molecular FormulaC12H12BrNOS
Molecular Weight298.21 g/mol
Exact Mass296.98
IUPAC Name(1S)-1-[2-(4-bromophenyl)-4-methyl-1,3-thiazol-5-yl]ethanol
SMILESCc1nc(-c2ccc(Br)cc2)sc1[C@H](C)O
InChIInChI=1S/C12H12BrNOS/c1-7-11(8(2)15)16-12(14-7)9-3-5-10(13)6-4-9/h3-6,8,15H,1-2H3/t8-/m0/s1
InChIKeyQMRHMRNGDXFMPD-QMMMGPOBSA-N
XLogP3.93
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.21
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-(4-bromophenyl)-4-methyl-1,3-thiazol-5-yl]ethanol?
The IUPAC name of (1S)-1-[2-(4-bromophenyl)-4-methyl-1,3-thiazol-5-yl]ethanol (CID 94001078) is (1S)-1-[2-(4-bromophenyl)-4-methyl-1,3-thiazol-5-yl]ethanol.
What is the SMILES notation for (1S)-1-[2-(4-bromophenyl)-4-methyl-1,3-thiazol-5-yl]ethanol?
The canonical SMILES for (1S)-1-[2-(4-bromophenyl)-4-methyl-1,3-thiazol-5-yl]ethanol is Cc1nc(-c2ccc(Br)cc2)sc1[C@H](C)O.
What is the InChIKey of (1S)-1-[2-(4-bromophenyl)-4-methyl-1,3-thiazol-5-yl]ethanol?
The InChIKey is QMRHMRNGDXFMPD-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H12BrNOS/c1-7-11(8(2)15)16-12(14-7)9-3-5-10(13)6-4-9/h3-6,8,15H,1-2H3/t8-/m0/s1.
What are the key properties of (1S)-1-[2-(4-bromophenyl)-4-methyl-1,3-thiazol-5-yl]ethanol?
(1S)-1-[2-(4-bromophenyl)-4-methyl-1,3-thiazol-5-yl]ethanol has a molecular weight of 298.21 g/mol, XLogP of 3.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-(4-bromophenyl)-4-methyl-1,3-thiazol-5-yl]ethanol is sourced from PubChem (CID 94001078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).