N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-1-(1,3-thiazol-2-yl)ethanamine

C16H15FN2OS — CID 63598801

IUPACN-[[5-(4-fluorophenyl)furan-2-yl]methyl]-1-(1,3-thiazol-2-yl)ethanamine
SMILESCC(NCc1ccc(-c2ccc(F)cc2)o1)c1nccs1
InChIInChI=1S/C16H15FN2OS/c1-11(16-18-8-9-21-16)19-10-14-6-7-15(20-14)12-2-4-13(17)5-3-12/h2-9,11,19H,10H2,1H3
InChIKeyGBFFMEUKULVWJC-UHFFFAOYSA-N
MW302.37 g/mol
LogP4.39
Rot. Bonds5

About N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-1-(1,3-thiazol-2-yl)ethanamine

N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-1-(1,3-thiazol-2-yl)ethanamine (PubChem CID 63598801) has the molecular formula C16H15FN2OS and a molecular weight of 302.37 g/mol. Its IUPAC name is N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-1-(1,3-thiazol-2-yl)ethanamine.

Molecular Properties

Compound NameN-[[5-(4-fluorophenyl)furan-2-yl]methyl]-1-(1,3-thiazol-2-yl)ethanamine
PubChem CID63598801
Molecular FormulaC16H15FN2OS
Molecular Weight302.37 g/mol
Exact Mass302.09
IUPAC NameN-[[5-(4-fluorophenyl)furan-2-yl]methyl]-1-(1,3-thiazol-2-yl)ethanamine
SMILESCC(NCc1ccc(-c2ccc(F)cc2)o1)c1nccs1
InChIInChI=1S/C16H15FN2OS/c1-11(16-18-8-9-21-16)19-10-14-6-7-15(20-14)12-2-4-13(17)5-3-12/h2-9,11,19H,10H2,1H3
InChIKeyGBFFMEUKULVWJC-UHFFFAOYSA-N
XLogP4.39
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-1-(1,3-thiazol-2-yl)ethanamine?
The IUPAC name of N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-1-(1,3-thiazol-2-yl)ethanamine (CID 63598801) is N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-1-(1,3-thiazol-2-yl)ethanamine.
What is the SMILES notation for N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-1-(1,3-thiazol-2-yl)ethanamine?
The canonical SMILES for N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-1-(1,3-thiazol-2-yl)ethanamine is CC(NCc1ccc(-c2ccc(F)cc2)o1)c1nccs1.
What is the InChIKey of N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-1-(1,3-thiazol-2-yl)ethanamine?
The InChIKey is GBFFMEUKULVWJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2OS/c1-11(16-18-8-9-21-16)19-10-14-6-7-15(20-14)12-2-4-13(17)5-3-12/h2-9,11,19H,10H2,1H3.
What are the key properties of N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-1-(1,3-thiazol-2-yl)ethanamine?
N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-1-(1,3-thiazol-2-yl)ethanamine has a molecular weight of 302.37 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-1-(1,3-thiazol-2-yl)ethanamine is sourced from PubChem (CID 63598801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).