(2-amino-4,5-dimethylthiophen-3-yl)-(4-fluorophenyl)methanol

C13H14FNOS — CID 123790681

IUPAC(2-amino-4,5-dimethylthiophen-3-yl)-(4-fluorophenyl)methanol
SMILESCc1sc(N)c(C(O)c2ccc(F)cc2)c1C
InChIInChI=1S/C13H14FNOS/c1-7-8(2)17-13(15)11(7)12(16)9-3-5-10(14)6-4-9/h3-6,12,16H,15H2,1-2H3
InChIKeyZOOXGMHHVROJGQ-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.17
Rot. Bonds2

About (2-amino-4,5-dimethylthiophen-3-yl)-(4-fluorophenyl)methanol

(2-amino-4,5-dimethylthiophen-3-yl)-(4-fluorophenyl)methanol (PubChem CID 123790681) has the molecular formula C13H14FNOS and a molecular weight of 251.33 g/mol. Its IUPAC name is (2-amino-4,5-dimethylthiophen-3-yl)-(4-fluorophenyl)methanol.

Molecular Properties

Compound Name(2-amino-4,5-dimethylthiophen-3-yl)-(4-fluorophenyl)methanol
PubChem CID123790681
Molecular FormulaC13H14FNOS
Molecular Weight251.33 g/mol
Exact Mass251.08
IUPAC Name(2-amino-4,5-dimethylthiophen-3-yl)-(4-fluorophenyl)methanol
SMILESCc1sc(N)c(C(O)c2ccc(F)cc2)c1C
InChIInChI=1S/C13H14FNOS/c1-7-8(2)17-13(15)11(7)12(16)9-3-5-10(14)6-4-9/h3-6,12,16H,15H2,1-2H3
InChIKeyZOOXGMHHVROJGQ-UHFFFAOYSA-N
XLogP3.17
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-amino-4,5-dimethylthiophen-3-yl)-(4-fluorophenyl)methanol?
The IUPAC name of (2-amino-4,5-dimethylthiophen-3-yl)-(4-fluorophenyl)methanol (CID 123790681) is (2-amino-4,5-dimethylthiophen-3-yl)-(4-fluorophenyl)methanol.
What is the SMILES notation for (2-amino-4,5-dimethylthiophen-3-yl)-(4-fluorophenyl)methanol?
The canonical SMILES for (2-amino-4,5-dimethylthiophen-3-yl)-(4-fluorophenyl)methanol is Cc1sc(N)c(C(O)c2ccc(F)cc2)c1C.
What is the InChIKey of (2-amino-4,5-dimethylthiophen-3-yl)-(4-fluorophenyl)methanol?
The InChIKey is ZOOXGMHHVROJGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNOS/c1-7-8(2)17-13(15)11(7)12(16)9-3-5-10(14)6-4-9/h3-6,12,16H,15H2,1-2H3.
What are the key properties of (2-amino-4,5-dimethylthiophen-3-yl)-(4-fluorophenyl)methanol?
(2-amino-4,5-dimethylthiophen-3-yl)-(4-fluorophenyl)methanol has a molecular weight of 251.33 g/mol, XLogP of 3.17, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-4,5-dimethylthiophen-3-yl)-(4-fluorophenyl)methanol is sourced from PubChem (CID 123790681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).