1-(3,4-difluorophenyl)-1-[4-[4-(dimethylamino)phenyl]-1,3-thiazol-2-yl]ethanol

C19H18F2N2OS — CID 46943003

IUPAC1-(3,4-difluorophenyl)-1-[4-[4-(dimethylamino)phenyl]-1,3-thiazol-2-yl]ethanol
SMILESCN(C)c1ccc(-c2csc(C(C)(O)c3ccc(F)c(F)c3)n2)cc1
InChIInChI=1S/C19H18F2N2OS/c1-19(24,13-6-9-15(20)16(21)10-13)18-22-17(11-25-18)12-4-7-14(8-5-12)23(2)3/h4-11,24H,1-3H3
InChIKeyPHWDFGIENUNJSU-UHFFFAOYSA-N
MW360.43 g/mol
LogP4.41
Rot. Bonds4

About 1-(3,4-difluorophenyl)-1-[4-[4-(dimethylamino)phenyl]-1,3-thiazol-2-yl]ethanol

1-(3,4-difluorophenyl)-1-[4-[4-(dimethylamino)phenyl]-1,3-thiazol-2-yl]ethanol (PubChem CID 46943003) has the molecular formula C19H18F2N2OS and a molecular weight of 360.43 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-1-[4-[4-(dimethylamino)phenyl]-1,3-thiazol-2-yl]ethanol.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-1-[4-[4-(dimethylamino)phenyl]-1,3-thiazol-2-yl]ethanol
PubChem CID46943003
Molecular FormulaC19H18F2N2OS
Molecular Weight360.43 g/mol
Exact Mass360.11
IUPAC Name1-(3,4-difluorophenyl)-1-[4-[4-(dimethylamino)phenyl]-1,3-thiazol-2-yl]ethanol
SMILESCN(C)c1ccc(-c2csc(C(C)(O)c3ccc(F)c(F)c3)n2)cc1
InChIInChI=1S/C19H18F2N2OS/c1-19(24,13-6-9-15(20)16(21)10-13)18-22-17(11-25-18)12-4-7-14(8-5-12)23(2)3/h4-11,24H,1-3H3
InChIKeyPHWDFGIENUNJSU-UHFFFAOYSA-N
XLogP4.41
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.43
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-1-[4-[4-(dimethylamino)phenyl]-1,3-thiazol-2-yl]ethanol?
The IUPAC name of 1-(3,4-difluorophenyl)-1-[4-[4-(dimethylamino)phenyl]-1,3-thiazol-2-yl]ethanol (CID 46943003) is 1-(3,4-difluorophenyl)-1-[4-[4-(dimethylamino)phenyl]-1,3-thiazol-2-yl]ethanol.
What is the SMILES notation for 1-(3,4-difluorophenyl)-1-[4-[4-(dimethylamino)phenyl]-1,3-thiazol-2-yl]ethanol?
The canonical SMILES for 1-(3,4-difluorophenyl)-1-[4-[4-(dimethylamino)phenyl]-1,3-thiazol-2-yl]ethanol is CN(C)c1ccc(-c2csc(C(C)(O)c3ccc(F)c(F)c3)n2)cc1.
What is the InChIKey of 1-(3,4-difluorophenyl)-1-[4-[4-(dimethylamino)phenyl]-1,3-thiazol-2-yl]ethanol?
The InChIKey is PHWDFGIENUNJSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N2OS/c1-19(24,13-6-9-15(20)16(21)10-13)18-22-17(11-25-18)12-4-7-14(8-5-12)23(2)3/h4-11,24H,1-3H3.
What are the key properties of 1-(3,4-difluorophenyl)-1-[4-[4-(dimethylamino)phenyl]-1,3-thiazol-2-yl]ethanol?
1-(3,4-difluorophenyl)-1-[4-[4-(dimethylamino)phenyl]-1,3-thiazol-2-yl]ethanol has a molecular weight of 360.43 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-1-[4-[4-(dimethylamino)phenyl]-1,3-thiazol-2-yl]ethanol is sourced from PubChem (CID 46943003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).