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

C14H13FN2OS — CID 114730250

IUPACN-[(5-fluoro-1-benzofuran-2-yl)-(1,3-thiazol-4-yl)methyl]ethanamine
SMILESCCNC(c1cscn1)c1cc2cc(F)ccc2o1
InChIInChI=1S/C14H13FN2OS/c1-2-16-14(11-7-19-8-17-11)13-6-9-5-10(15)3-4-12(9)18-13/h3-8,14,16H,2H2,1H3
InChIKeyMOPRKYJXZLYMCX-UHFFFAOYSA-N
MW276.34 g/mol
LogP3.73
Rot. Bonds4

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

N-[(5-fluoro-1-benzofuran-2-yl)-(1,3-thiazol-4-yl)methyl]ethanamine (PubChem CID 114730250) has the molecular formula C14H13FN2OS and a molecular weight of 276.34 g/mol. Its IUPAC name is N-[(5-fluoro-1-benzofuran-2-yl)-(1,3-thiazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(5-fluoro-1-benzofuran-2-yl)-(1,3-thiazol-4-yl)methyl]ethanamine
PubChem CID114730250
Molecular FormulaC14H13FN2OS
Molecular Weight276.34 g/mol
Exact Mass276.07
IUPAC NameN-[(5-fluoro-1-benzofuran-2-yl)-(1,3-thiazol-4-yl)methyl]ethanamine
SMILESCCNC(c1cscn1)c1cc2cc(F)ccc2o1
InChIInChI=1S/C14H13FN2OS/c1-2-16-14(11-7-19-8-17-11)13-6-9-5-10(15)3-4-12(9)18-13/h3-8,14,16H,2H2,1H3
InChIKeyMOPRKYJXZLYMCX-UHFFFAOYSA-N
XLogP3.73
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(5-fluoro-1-benzofuran-2-yl)-(1,3-thiazol-4-yl)methyl]ethanamine?
The IUPAC name of N-[(5-fluoro-1-benzofuran-2-yl)-(1,3-thiazol-4-yl)methyl]ethanamine (CID 114730250) is N-[(5-fluoro-1-benzofuran-2-yl)-(1,3-thiazol-4-yl)methyl]ethanamine.
What is the SMILES notation for N-[(5-fluoro-1-benzofuran-2-yl)-(1,3-thiazol-4-yl)methyl]ethanamine?
The canonical SMILES for N-[(5-fluoro-1-benzofuran-2-yl)-(1,3-thiazol-4-yl)methyl]ethanamine is CCNC(c1cscn1)c1cc2cc(F)ccc2o1.
What is the InChIKey of N-[(5-fluoro-1-benzofuran-2-yl)-(1,3-thiazol-4-yl)methyl]ethanamine?
The InChIKey is MOPRKYJXZLYMCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2OS/c1-2-16-14(11-7-19-8-17-11)13-6-9-5-10(15)3-4-12(9)18-13/h3-8,14,16H,2H2,1H3.
What are the key properties of N-[(5-fluoro-1-benzofuran-2-yl)-(1,3-thiazol-4-yl)methyl]ethanamine?
N-[(5-fluoro-1-benzofuran-2-yl)-(1,3-thiazol-4-yl)methyl]ethanamine has a molecular weight of 276.34 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-fluoro-1-benzofuran-2-yl)-(1,3-thiazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 114730250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).