2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylamino]-1-thiophen-3-ylethanol

C16H15FN2OS2 — CID 111440463

IUPAC2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylamino]-1-thiophen-3-ylethanol
SMILESOC(CNCc1csc(-c2ccc(F)cc2)n1)c1ccsc1
InChIInChI=1S/C16H15FN2OS2/c17-13-3-1-11(2-4-13)16-19-14(10-22-16)7-18-8-15(20)12-5-6-21-9-12/h1-6,9-10,15,18,20H,7-8H2
InChIKeyPNZLPIGGGVUNEM-UHFFFAOYSA-N
MW334.44 g/mol
LogP3.83
Rot. Bonds6

About 2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylamino]-1-thiophen-3-ylethanol

2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylamino]-1-thiophen-3-ylethanol (PubChem CID 111440463) has the molecular formula C16H15FN2OS2 and a molecular weight of 334.44 g/mol. Its IUPAC name is 2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylamino]-1-thiophen-3-ylethanol.

Molecular Properties

Compound Name2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylamino]-1-thiophen-3-ylethanol
PubChem CID111440463
Molecular FormulaC16H15FN2OS2
Molecular Weight334.44 g/mol
Exact Mass334.06
IUPAC Name2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylamino]-1-thiophen-3-ylethanol
SMILESOC(CNCc1csc(-c2ccc(F)cc2)n1)c1ccsc1
InChIInChI=1S/C16H15FN2OS2/c17-13-3-1-11(2-4-13)16-19-14(10-22-16)7-18-8-15(20)12-5-6-21-9-12/h1-6,9-10,15,18,20H,7-8H2
InChIKeyPNZLPIGGGVUNEM-UHFFFAOYSA-N
XLogP3.83
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-fluorophenyl)-2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylamino]ethanol
CID 110889849
N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]thiophen-3-amine
CID 66350578
1-(2-fluorophenyl)-2-[(2-phenyl-1,3-thiazol-4-yl)methylamino]ethanol
CID 110901257
3-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylamino]propan-1-ol
CID 43407823
2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylamino]acetic acid
CID 43628522
2-methyl-N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]propan-1-amine
CID 115573430
2-bromo-N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]prop-2-en-1-amine
CID 115614858
2-chloro-N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]prop-2-en-1-amine
CID 113238370
2-[(5-fluoro-2-methylphenyl)methylamino]-1-thiophen-3-ylethanol
CID 103943964
2-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]-1-thiophen-3-ylethanol
CID 103823528
1-thiophen-3-yl-2-[(4-trimethylsilylphenyl)methylamino]ethanol
CID 106435058
2-[(4-cyclopropylphenyl)methylamino]-1-thiophen-3-ylethanol
CID 106434767

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylamino]-1-thiophen-3-ylethanol?
The IUPAC name of 2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylamino]-1-thiophen-3-ylethanol (CID 111440463) is 2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylamino]-1-thiophen-3-ylethanol.
What is the SMILES notation for 2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylamino]-1-thiophen-3-ylethanol?
The canonical SMILES for 2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylamino]-1-thiophen-3-ylethanol is OC(CNCc1csc(-c2ccc(F)cc2)n1)c1ccsc1.
What is the InChIKey of 2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylamino]-1-thiophen-3-ylethanol?
The InChIKey is PNZLPIGGGVUNEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2OS2/c17-13-3-1-11(2-4-13)16-19-14(10-22-16)7-18-8-15(20)12-5-6-21-9-12/h1-6,9-10,15,18,20H,7-8H2.
What are the key properties of 2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylamino]-1-thiophen-3-ylethanol?
2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylamino]-1-thiophen-3-ylethanol has a molecular weight of 334.44 g/mol, XLogP of 3.83, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylamino]-1-thiophen-3-ylethanol is sourced from PubChem (CID 111440463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).