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

C15H15FN2OS — CID 114730257

IUPACN-[(5-fluoro-1-benzofuran-2-yl)-(1,3-thiazol-4-yl)methyl]propan-1-amine
SMILESCCCNC(c1cscn1)c1cc2cc(F)ccc2o1
InChIInChI=1S/C15H15FN2OS/c1-2-5-17-15(12-8-20-9-18-12)14-7-10-6-11(16)3-4-13(10)19-14/h3-4,6-9,15,17H,2,5H2,1H3
InChIKeyKHBRCNQJDDDPAP-UHFFFAOYSA-N
MW290.36 g/mol
LogP4.12
Rot. Bonds5

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

N-[(5-fluoro-1-benzofuran-2-yl)-(1,3-thiazol-4-yl)methyl]propan-1-amine (PubChem CID 114730257) has the molecular formula C15H15FN2OS and a molecular weight of 290.36 g/mol. Its IUPAC name is N-[(5-fluoro-1-benzofuran-2-yl)-(1,3-thiazol-4-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(5-fluoro-1-benzofuran-2-yl)-(1,3-thiazol-4-yl)methyl]propan-1-amine
PubChem CID114730257
Molecular FormulaC15H15FN2OS
Molecular Weight290.36 g/mol
Exact Mass290.09
IUPAC NameN-[(5-fluoro-1-benzofuran-2-yl)-(1,3-thiazol-4-yl)methyl]propan-1-amine
SMILESCCCNC(c1cscn1)c1cc2cc(F)ccc2o1
InChIInChI=1S/C15H15FN2OS/c1-2-5-17-15(12-8-20-9-18-12)14-7-10-6-11(16)3-4-13(10)19-14/h3-4,6-9,15,17H,2,5H2,1H3
InChIKeyKHBRCNQJDDDPAP-UHFFFAOYSA-N
XLogP4.12
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 54.12
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]propan-1-amine?
The IUPAC name of N-[(5-fluoro-1-benzofuran-2-yl)-(1,3-thiazol-4-yl)methyl]propan-1-amine (CID 114730257) is N-[(5-fluoro-1-benzofuran-2-yl)-(1,3-thiazol-4-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(5-fluoro-1-benzofuran-2-yl)-(1,3-thiazol-4-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(5-fluoro-1-benzofuran-2-yl)-(1,3-thiazol-4-yl)methyl]propan-1-amine is CCCNC(c1cscn1)c1cc2cc(F)ccc2o1.
What is the InChIKey of N-[(5-fluoro-1-benzofuran-2-yl)-(1,3-thiazol-4-yl)methyl]propan-1-amine?
The InChIKey is KHBRCNQJDDDPAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2OS/c1-2-5-17-15(12-8-20-9-18-12)14-7-10-6-11(16)3-4-13(10)19-14/h3-4,6-9,15,17H,2,5H2,1H3.
What are the key properties of N-[(5-fluoro-1-benzofuran-2-yl)-(1,3-thiazol-4-yl)methyl]propan-1-amine?
N-[(5-fluoro-1-benzofuran-2-yl)-(1,3-thiazol-4-yl)methyl]propan-1-amine has a molecular weight of 290.36 g/mol, XLogP of 4.12, 5 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]propan-1-amine is sourced from PubChem (CID 114730257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).