[4-(4-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-phenylmethanol

C17H14FNO2S — CID 46948550

IUPAC[4-(4-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-phenylmethanol
SMILESCOc1cc(F)ccc1-c1csc(C(O)c2ccccc2)n1
InChIInChI=1S/C17H14FNO2S/c1-21-15-9-12(18)7-8-13(15)14-10-22-17(19-14)16(20)11-5-3-2-4-6-11/h2-10,16,20H,1H3
InChIKeyNJBUJZXPVSYARN-UHFFFAOYSA-N
MW315.37 g/mol
LogP4.04
Rot. Bonds4

About [4-(4-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-phenylmethanol

[4-(4-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-phenylmethanol (PubChem CID 46948550) has the molecular formula C17H14FNO2S and a molecular weight of 315.37 g/mol. Its IUPAC name is [4-(4-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-phenylmethanol.

Molecular Properties

Compound Name[4-(4-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-phenylmethanol
PubChem CID46948550
Molecular FormulaC17H14FNO2S
Molecular Weight315.37 g/mol
Exact Mass315.07
IUPAC Name[4-(4-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-phenylmethanol
SMILESCOc1cc(F)ccc1-c1csc(C(O)c2ccccc2)n1
InChIInChI=1S/C17H14FNO2S/c1-21-15-9-12(18)7-8-13(15)14-10-22-17(19-14)16(20)11-5-3-2-4-6-11/h2-10,16,20H,1H3
InChIKeyNJBUJZXPVSYARN-UHFFFAOYSA-N
XLogP4.04
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(4-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-phenylmethanol?
The IUPAC name of [4-(4-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-phenylmethanol (CID 46948550) is [4-(4-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-phenylmethanol.
What is the SMILES notation for [4-(4-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-phenylmethanol?
The canonical SMILES for [4-(4-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-phenylmethanol is COc1cc(F)ccc1-c1csc(C(O)c2ccccc2)n1.
What is the InChIKey of [4-(4-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-phenylmethanol?
The InChIKey is NJBUJZXPVSYARN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FNO2S/c1-21-15-9-12(18)7-8-13(15)14-10-22-17(19-14)16(20)11-5-3-2-4-6-11/h2-10,16,20H,1H3.
What are the key properties of [4-(4-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-phenylmethanol?
[4-(4-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-phenylmethanol has a molecular weight of 315.37 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-phenylmethanol is sourced from PubChem (CID 46948550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).