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

C13H14FNOS — CID 79448872

IUPAC2-(2-fluorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-1-ol
SMILESCc1nc(CC(CO)c2ccccc2F)cs1
InChIInChI=1S/C13H14FNOS/c1-9-15-11(8-17-9)6-10(7-16)12-4-2-3-5-13(12)14/h2-5,8,10,16H,6-7H2,1H3
InChIKeySPNHYQUHIIRZKB-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.91
Rot. Bonds4

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

2-(2-fluorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-1-ol (PubChem CID 79448872) has the molecular formula C13H14FNOS and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-1-ol.

Molecular Properties

Compound Name2-(2-fluorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-1-ol
PubChem CID79448872
Molecular FormulaC13H14FNOS
Molecular Weight251.33 g/mol
Exact Mass251.08
IUPAC Name2-(2-fluorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-1-ol
SMILESCc1nc(CC(CO)c2ccccc2F)cs1
InChIInChI=1S/C13H14FNOS/c1-9-15-11(8-17-9)6-10(7-16)12-4-2-3-5-13(12)14/h2-5,8,10,16H,6-7H2,1H3
InChIKeySPNHYQUHIIRZKB-UHFFFAOYSA-N
XLogP2.91
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-1-ol?
The IUPAC name of 2-(2-fluorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-1-ol (CID 79448872) is 2-(2-fluorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-1-ol.
What is the SMILES notation for 2-(2-fluorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-1-ol?
The canonical SMILES for 2-(2-fluorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-1-ol is Cc1nc(CC(CO)c2ccccc2F)cs1.
What is the InChIKey of 2-(2-fluorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-1-ol?
The InChIKey is SPNHYQUHIIRZKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNOS/c1-9-15-11(8-17-9)6-10(7-16)12-4-2-3-5-13(12)14/h2-5,8,10,16H,6-7H2,1H3.
What are the key properties of 2-(2-fluorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-1-ol?
2-(2-fluorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-1-ol has a molecular weight of 251.33 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-1-ol is sourced from PubChem (CID 79448872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).