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

C13H13BrFNOS — CID 62799855

IUPAC1-(5-bromo-2-fluorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-ol
SMILESCc1nc(CC(O)Cc2cc(Br)ccc2F)cs1
InChIInChI=1S/C13H13BrFNOS/c1-8-16-11(7-18-8)6-12(17)5-9-4-10(14)2-3-13(9)15/h2-4,7,12,17H,5-6H2,1H3
InChIKeyXQYPCNPXKQWVRG-UHFFFAOYSA-N
MW330.22 g/mol
LogP3.50
Rot. Bonds4

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

1-(5-bromo-2-fluorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-ol (PubChem CID 62799855) has the molecular formula C13H13BrFNOS and a molecular weight of 330.22 g/mol. Its IUPAC name is 1-(5-bromo-2-fluorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-ol.

Molecular Properties

Compound Name1-(5-bromo-2-fluorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-ol
PubChem CID62799855
Molecular FormulaC13H13BrFNOS
Molecular Weight330.22 g/mol
Exact Mass328.99
IUPAC Name1-(5-bromo-2-fluorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-ol
SMILESCc1nc(CC(O)Cc2cc(Br)ccc2F)cs1
InChIInChI=1S/C13H13BrFNOS/c1-8-16-11(7-18-8)6-12(17)5-9-4-10(14)2-3-13(9)15/h2-4,7,12,17H,5-6H2,1H3
InChIKeyXQYPCNPXKQWVRG-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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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-fluorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-ol?
The IUPAC name of 1-(5-bromo-2-fluorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-ol (CID 62799855) is 1-(5-bromo-2-fluorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-ol.
What is the SMILES notation for 1-(5-bromo-2-fluorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-ol?
The canonical SMILES for 1-(5-bromo-2-fluorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-ol is Cc1nc(CC(O)Cc2cc(Br)ccc2F)cs1.
What is the InChIKey of 1-(5-bromo-2-fluorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-ol?
The InChIKey is XQYPCNPXKQWVRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrFNOS/c1-8-16-11(7-18-8)6-12(17)5-9-4-10(14)2-3-13(9)15/h2-4,7,12,17H,5-6H2,1H3.
What are the key properties of 1-(5-bromo-2-fluorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-ol?
1-(5-bromo-2-fluorophenyl)-3-(2-methyl-1,3-thiazol-4-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-(5-bromo-2-fluorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-ol is sourced from PubChem (CID 62799855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).