1-(3-bromo-5-fluorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-ol

C13H13BrFNOS — CID 79702691

IUPAC1-(3-bromo-5-fluorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-ol
SMILESCc1csc(CC(O)Cc2cc(F)cc(Br)c2)n1
InChIInChI=1S/C13H13BrFNOS/c1-8-7-18-13(16-8)6-12(17)4-9-2-10(14)5-11(15)3-9/h2-3,5,7,12,17H,4,6H2,1H3
InChIKeyWWCCDGHICQQPEB-UHFFFAOYSA-N
MW330.22 g/mol
LogP3.50
Rot. Bonds4

About 1-(3-bromo-5-fluorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-ol

1-(3-bromo-5-fluorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-ol (PubChem CID 79702691) has the molecular formula C13H13BrFNOS and a molecular weight of 330.22 g/mol. Its IUPAC name is 1-(3-bromo-5-fluorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-ol.

Molecular Properties

Compound Name1-(3-bromo-5-fluorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-ol
PubChem CID79702691
Molecular FormulaC13H13BrFNOS
Molecular Weight330.22 g/mol
Exact Mass328.99
IUPAC Name1-(3-bromo-5-fluorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-ol
SMILESCc1csc(CC(O)Cc2cc(F)cc(Br)c2)n1
InChIInChI=1S/C13H13BrFNOS/c1-8-7-18-13(16-8)6-12(17)4-9-2-10(14)5-11(15)3-9/h2-3,5,7,12,17H,4,6H2,1H3
InChIKeyWWCCDGHICQQPEB-UHFFFAOYSA-N
XLogP3.50
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.22
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromo-5-fluorophenyl)-3-(4-fluorophenyl)propan-2-ol
CID 79701664
1-(3-bromo-5-chlorophenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanol
CID 107947699
2-(3-bromo-5-fluorophenyl)-1-(3,5-difluorophenyl)ethanol
CID 79703067
1-(4-methyl-1,3-thiazol-2-yl)butane-2,3-diol
CID 103452784
1-(3-bromo-5-fluorophenyl)-3-ethylpentan-2-ol
CID 79703019
1-(2-fluoro-3-methoxyphenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-ol
CID 104793596
[1-(3,5-dibromophenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]hydrazine
CID 107979313
5-ethylsulfonyl-1-(4-methyl-1,3-thiazol-2-yl)pentan-2-ol
CID 65095838
1-(5-bromo-4-methylthiophen-2-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanol
CID 115824159
1-(3-fluorophenyl)-N-methyl-3-(4-methyl-1,3-thiazol-2-yl)propan-2-amine
CID 62794811
3-[(3-bromo-5-fluorophenyl)methyl]pentan-2-ol
CID 79709487
1-(3-bromo-5-fluorophenyl)-4,4-dimethylpentan-2-amine
CID 79708487

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-fluorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-ol?
The IUPAC name of 1-(3-bromo-5-fluorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-ol (CID 79702691) is 1-(3-bromo-5-fluorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-ol.
What is the SMILES notation for 1-(3-bromo-5-fluorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-ol?
The canonical SMILES for 1-(3-bromo-5-fluorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-ol is Cc1csc(CC(O)Cc2cc(F)cc(Br)c2)n1.
What is the InChIKey of 1-(3-bromo-5-fluorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-ol?
The InChIKey is WWCCDGHICQQPEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrFNOS/c1-8-7-18-13(16-8)6-12(17)4-9-2-10(14)5-11(15)3-9/h2-3,5,7,12,17H,4,6H2,1H3.
What are the key properties of 1-(3-bromo-5-fluorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-ol?
1-(3-bromo-5-fluorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-ol has a molecular weight of 330.22 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-fluorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-ol is sourced from PubChem (CID 79702691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).