N-[(7-fluoro-1-benzofuran-2-yl)-(1,3-thiazol-4-yl)methyl]propan-1-amine

C15H15FN2OS — CID 114730256

IUPACN-[(7-fluoro-1-benzofuran-2-yl)-(1,3-thiazol-4-yl)methyl]propan-1-amine
SMILESCCCNC(c1cscn1)c1cc2cccc(F)c2o1
InChIInChI=1S/C15H15FN2OS/c1-2-6-17-14(12-8-20-9-18-12)13-7-10-4-3-5-11(16)15(10)19-13/h3-5,7-9,14,17H,2,6H2,1H3
InChIKeyPUHCVWXCYNZPDK-UHFFFAOYSA-N
MW290.36 g/mol
LogP4.12
Rot. Bonds5

About N-[(7-fluoro-1-benzofuran-2-yl)-(1,3-thiazol-4-yl)methyl]propan-1-amine

N-[(7-fluoro-1-benzofuran-2-yl)-(1,3-thiazol-4-yl)methyl]propan-1-amine (PubChem CID 114730256) has the molecular formula C15H15FN2OS and a molecular weight of 290.36 g/mol. Its IUPAC name is N-[(7-fluoro-1-benzofuran-2-yl)-(1,3-thiazol-4-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(7-fluoro-1-benzofuran-2-yl)-(1,3-thiazol-4-yl)methyl]propan-1-amine
PubChem CID114730256
Molecular FormulaC15H15FN2OS
Molecular Weight290.36 g/mol
Exact Mass290.09
IUPAC NameN-[(7-fluoro-1-benzofuran-2-yl)-(1,3-thiazol-4-yl)methyl]propan-1-amine
SMILESCCCNC(c1cscn1)c1cc2cccc(F)c2o1
InChIInChI=1S/C15H15FN2OS/c1-2-6-17-14(12-8-20-9-18-12)13-7-10-4-3-5-11(16)15(10)19-13/h3-5,7-9,14,17H,2,6H2,1H3
InChIKeyPUHCVWXCYNZPDK-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-[(7-fluoro-1-benzofuran-2-yl)-(1,3-thiazol-4-yl)methyl]propan-1-amine?
The IUPAC name of N-[(7-fluoro-1-benzofuran-2-yl)-(1,3-thiazol-4-yl)methyl]propan-1-amine (CID 114730256) is N-[(7-fluoro-1-benzofuran-2-yl)-(1,3-thiazol-4-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(7-fluoro-1-benzofuran-2-yl)-(1,3-thiazol-4-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(7-fluoro-1-benzofuran-2-yl)-(1,3-thiazol-4-yl)methyl]propan-1-amine is CCCNC(c1cscn1)c1cc2cccc(F)c2o1.
What is the InChIKey of N-[(7-fluoro-1-benzofuran-2-yl)-(1,3-thiazol-4-yl)methyl]propan-1-amine?
The InChIKey is PUHCVWXCYNZPDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2OS/c1-2-6-17-14(12-8-20-9-18-12)13-7-10-4-3-5-11(16)15(10)19-13/h3-5,7-9,14,17H,2,6H2,1H3.
What are the key properties of N-[(7-fluoro-1-benzofuran-2-yl)-(1,3-thiazol-4-yl)methyl]propan-1-amine?
N-[(7-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-[(7-fluoro-1-benzofuran-2-yl)-(1,3-thiazol-4-yl)methyl]propan-1-amine is sourced from PubChem (CID 114730256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).