N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine

C15H20N2OS — CID 86787922

IUPACN-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine
SMILESCCc1cnc(C(C)NC2CCCc3occc32)s1
InChIInChI=1S/C15H20N2OS/c1-3-11-9-16-15(19-11)10(2)17-13-5-4-6-14-12(13)7-8-18-14/h7-10,13,17H,3-6H2,1-2H3
InChIKeyCFUVCVIZATVGAO-UHFFFAOYSA-N
MW276.41 g/mol
LogP4.03
Rot. Bonds4

About N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine

N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine (PubChem CID 86787922) has the molecular formula C15H20N2OS and a molecular weight of 276.41 g/mol. Its IUPAC name is N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine.

Molecular Properties

Compound NameN-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine
PubChem CID86787922
Molecular FormulaC15H20N2OS
Molecular Weight276.41 g/mol
Exact Mass276.13
IUPAC NameN-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine
SMILESCCc1cnc(C(C)NC2CCCc3occc32)s1
InChIInChI=1S/C15H20N2OS/c1-3-11-9-16-15(19-11)10(2)17-13-5-4-6-14-12(13)7-8-18-14/h7-10,13,17H,3-6H2,1-2H3
InChIKeyCFUVCVIZATVGAO-UHFFFAOYSA-N
XLogP4.03
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine?
The IUPAC name of N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine (CID 86787922) is N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine.
What is the SMILES notation for N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine?
The canonical SMILES for N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine is CCc1cnc(C(C)NC2CCCc3occc32)s1.
What is the InChIKey of N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine?
The InChIKey is CFUVCVIZATVGAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS/c1-3-11-9-16-15(19-11)10(2)17-13-5-4-6-14-12(13)7-8-18-14/h7-10,13,17H,3-6H2,1-2H3.
What are the key properties of N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine?
N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine has a molecular weight of 276.41 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine is sourced from PubChem (CID 86787922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).