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

C13H14FNOS — CID 55119651

IUPAC1-(2-fluorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-ol
SMILESCc1nc(CC(O)Cc2ccccc2F)cs1
InChIInChI=1S/C13H14FNOS/c1-9-15-11(8-17-9)7-12(16)6-10-4-2-3-5-13(10)14/h2-5,8,12,16H,6-7H2,1H3
InChIKeyRGQFMGACTCSDGN-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.74
Rot. Bonds4

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

1-(2-fluorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-ol (PubChem CID 55119651) has the molecular formula C13H14FNOS and a molecular weight of 251.33 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-ol.

Molecular Properties

Compound Name1-(2-fluorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-ol
PubChem CID55119651
Molecular FormulaC13H14FNOS
Molecular Weight251.33 g/mol
Exact Mass251.08
IUPAC Name1-(2-fluorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-ol
SMILESCc1nc(CC(O)Cc2ccccc2F)cs1
InChIInChI=1S/C13H14FNOS/c1-9-15-11(8-17-9)7-12(16)6-10-4-2-3-5-13(10)14/h2-5,8,12,16H,6-7H2,1H3
InChIKeyRGQFMGACTCSDGN-UHFFFAOYSA-N
XLogP2.74
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 ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-ol?
The IUPAC name of 1-(2-fluorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-ol (CID 55119651) is 1-(2-fluorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-ol.
What is the SMILES notation for 1-(2-fluorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-ol?
The canonical SMILES for 1-(2-fluorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-ol is Cc1nc(CC(O)Cc2ccccc2F)cs1.
What is the InChIKey of 1-(2-fluorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-ol?
The InChIKey is RGQFMGACTCSDGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNOS/c1-9-15-11(8-17-9)7-12(16)6-10-4-2-3-5-13(10)14/h2-5,8,12,16H,6-7H2,1H3.
What are the key properties of 1-(2-fluorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-ol?
1-(2-fluorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-ol has a molecular weight of 251.33 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-ol is sourced from PubChem (CID 55119651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).