4-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]phenol

C16H12FNOS — CID 135569789

IUPAC4-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]phenol
SMILESCc1sc(-c2ccc(O)cc2)nc1-c1ccc(F)cc1
InChIInChI=1S/C16H12FNOS/c1-10-15(11-2-6-13(17)7-3-11)18-16(20-10)12-4-8-14(19)9-5-12/h2-9,19H,1H3
InChIKeyVRWRJSPWXSUCSV-UHFFFAOYSA-N
MW285.34 g/mol
LogP4.63
Rot. Bonds2

About 4-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]phenol

4-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]phenol (PubChem CID 135569789) has the molecular formula C16H12FNOS and a molecular weight of 285.34 g/mol. Its IUPAC name is 4-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]phenol.

Molecular Properties

Compound Name4-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]phenol
PubChem CID135569789
Molecular FormulaC16H12FNOS
Molecular Weight285.34 g/mol
Exact Mass285.06
IUPAC Name4-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]phenol
SMILESCc1sc(-c2ccc(O)cc2)nc1-c1ccc(F)cc1
InChIInChI=1S/C16H12FNOS/c1-10-15(11-2-6-13(17)7-3-11)18-16(20-10)12-4-8-14(19)9-5-12/h2-9,19H,1H3
InChIKeyVRWRJSPWXSUCSV-UHFFFAOYSA-N
XLogP4.63
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]phenol?
The IUPAC name of 4-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]phenol (CID 135569789) is 4-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]phenol.
What is the SMILES notation for 4-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]phenol?
The canonical SMILES for 4-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]phenol is Cc1sc(-c2ccc(O)cc2)nc1-c1ccc(F)cc1.
What is the InChIKey of 4-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]phenol?
The InChIKey is VRWRJSPWXSUCSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FNOS/c1-10-15(11-2-6-13(17)7-3-11)18-16(20-10)12-4-8-14(19)9-5-12/h2-9,19H,1H3.
What are the key properties of 4-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]phenol?
4-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]phenol has a molecular weight of 285.34 g/mol, XLogP of 4.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]phenol is sourced from PubChem (CID 135569789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).