[4-[4-(dimethylamino)phenyl]-1,3-thiazol-2-yl]-(4-fluorophenyl)methanol

C18H17FN2OS — CID 46943589

IUPAC[4-[4-(dimethylamino)phenyl]-1,3-thiazol-2-yl]-(4-fluorophenyl)methanol
SMILESCN(C)c1ccc(-c2csc(C(O)c3ccc(F)cc3)n2)cc1
InChIInChI=1S/C18H17FN2OS/c1-21(2)15-9-5-12(6-10-15)16-11-23-18(20-16)17(22)13-3-7-14(19)8-4-13/h3-11,17,22H,1-2H3
InChIKeyVXABRGBREASEEK-UHFFFAOYSA-N
MW328.41 g/mol
LogP4.10
Rot. Bonds4

About [4-[4-(dimethylamino)phenyl]-1,3-thiazol-2-yl]-(4-fluorophenyl)methanol

[4-[4-(dimethylamino)phenyl]-1,3-thiazol-2-yl]-(4-fluorophenyl)methanol (PubChem CID 46943589) has the molecular formula C18H17FN2OS and a molecular weight of 328.41 g/mol. Its IUPAC name is [4-[4-(dimethylamino)phenyl]-1,3-thiazol-2-yl]-(4-fluorophenyl)methanol.

Molecular Properties

Compound Name[4-[4-(dimethylamino)phenyl]-1,3-thiazol-2-yl]-(4-fluorophenyl)methanol
PubChem CID46943589
Molecular FormulaC18H17FN2OS
Molecular Weight328.41 g/mol
Exact Mass328.10
IUPAC Name[4-[4-(dimethylamino)phenyl]-1,3-thiazol-2-yl]-(4-fluorophenyl)methanol
SMILESCN(C)c1ccc(-c2csc(C(O)c3ccc(F)cc3)n2)cc1
InChIInChI=1S/C18H17FN2OS/c1-21(2)15-9-5-12(6-10-15)16-11-23-18(20-16)17(22)13-3-7-14(19)8-4-13/h3-11,17,22H,1-2H3
InChIKeyVXABRGBREASEEK-UHFFFAOYSA-N
XLogP4.10
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[4-(dimethylamino)phenyl]-1,3-thiazol-2-yl]-(4-fluorophenyl)methanol?
The IUPAC name of [4-[4-(dimethylamino)phenyl]-1,3-thiazol-2-yl]-(4-fluorophenyl)methanol (CID 46943589) is [4-[4-(dimethylamino)phenyl]-1,3-thiazol-2-yl]-(4-fluorophenyl)methanol.
What is the SMILES notation for [4-[4-(dimethylamino)phenyl]-1,3-thiazol-2-yl]-(4-fluorophenyl)methanol?
The canonical SMILES for [4-[4-(dimethylamino)phenyl]-1,3-thiazol-2-yl]-(4-fluorophenyl)methanol is CN(C)c1ccc(-c2csc(C(O)c3ccc(F)cc3)n2)cc1.
What is the InChIKey of [4-[4-(dimethylamino)phenyl]-1,3-thiazol-2-yl]-(4-fluorophenyl)methanol?
The InChIKey is VXABRGBREASEEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2OS/c1-21(2)15-9-5-12(6-10-15)16-11-23-18(20-16)17(22)13-3-7-14(19)8-4-13/h3-11,17,22H,1-2H3.
What are the key properties of [4-[4-(dimethylamino)phenyl]-1,3-thiazol-2-yl]-(4-fluorophenyl)methanol?
[4-[4-(dimethylamino)phenyl]-1,3-thiazol-2-yl]-(4-fluorophenyl)methanol has a molecular weight of 328.41 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(dimethylamino)phenyl]-1,3-thiazol-2-yl]-(4-fluorophenyl)methanol is sourced from PubChem (CID 46943589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).