1-(3,4-difluorophenyl)-2-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylamino]ethanol

C16H14F2N2OS2 — CID 47073673

IUPAC1-(3,4-difluorophenyl)-2-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylamino]ethanol
SMILESOC(CNCc1csc(-c2ccsc2)n1)c1ccc(F)c(F)c1
InChIInChI=1S/C16H14F2N2OS2/c17-13-2-1-10(5-14(13)18)15(21)7-19-6-12-9-23-16(20-12)11-3-4-22-8-11/h1-5,8-9,15,19,21H,6-7H2
InChIKeyJWHHFNTYLMWINJ-UHFFFAOYSA-N
MW352.43 g/mol
LogP3.97
Rot. Bonds6

About 1-(3,4-difluorophenyl)-2-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylamino]ethanol

1-(3,4-difluorophenyl)-2-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylamino]ethanol (PubChem CID 47073673) has the molecular formula C16H14F2N2OS2 and a molecular weight of 352.43 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-2-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylamino]ethanol.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-2-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylamino]ethanol
PubChem CID47073673
Molecular FormulaC16H14F2N2OS2
Molecular Weight352.43 g/mol
Exact Mass352.05
IUPAC Name1-(3,4-difluorophenyl)-2-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylamino]ethanol
SMILESOC(CNCc1csc(-c2ccsc2)n1)c1ccc(F)c(F)c1
InChIInChI=1S/C16H14F2N2OS2/c17-13-2-1-10(5-14(13)18)15(21)7-19-6-12-9-23-16(20-12)11-3-4-22-8-11/h1-5,8-9,15,19,21H,6-7H2
InChIKeyJWHHFNTYLMWINJ-UHFFFAOYSA-N
XLogP3.97
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(3,4-difluorophenyl)-2-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylamino]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-2-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylamino]ethanol?
The IUPAC name of 1-(3,4-difluorophenyl)-2-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylamino]ethanol (CID 47073673) is 1-(3,4-difluorophenyl)-2-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylamino]ethanol.
What is the SMILES notation for 1-(3,4-difluorophenyl)-2-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylamino]ethanol?
The canonical SMILES for 1-(3,4-difluorophenyl)-2-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylamino]ethanol is OC(CNCc1csc(-c2ccsc2)n1)c1ccc(F)c(F)c1.
What is the InChIKey of 1-(3,4-difluorophenyl)-2-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylamino]ethanol?
The InChIKey is JWHHFNTYLMWINJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2N2OS2/c17-13-2-1-10(5-14(13)18)15(21)7-19-6-12-9-23-16(20-12)11-3-4-22-8-11/h1-5,8-9,15,19,21H,6-7H2.
What are the key properties of 1-(3,4-difluorophenyl)-2-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylamino]ethanol?
1-(3,4-difluorophenyl)-2-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylamino]ethanol has a molecular weight of 352.43 g/mol, XLogP of 3.97, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-2-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylamino]ethanol is sourced from PubChem (CID 47073673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).