N-ethyl-2-(5-ethylfuran-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine

C15H20N2OS — CID 62345258

IUPACN-ethyl-2-(5-ethylfuran-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
SMILESCCNC1CCCc2nc(-c3ccc(CC)o3)sc21
InChIInChI=1S/C15H20N2OS/c1-3-10-8-9-13(18-10)15-17-12-7-5-6-11(16-4-2)14(12)19-15/h8-9,11,16H,3-7H2,1-2H3
InChIKeyLECHSAAFIRVHHO-UHFFFAOYSA-N
MW276.41 g/mol
LogP3.95
Rot. Bonds4

About N-ethyl-2-(5-ethylfuran-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine

N-ethyl-2-(5-ethylfuran-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (PubChem CID 62345258) has the molecular formula C15H20N2OS and a molecular weight of 276.41 g/mol. Its IUPAC name is N-ethyl-2-(5-ethylfuran-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine.

Molecular Properties

Compound NameN-ethyl-2-(5-ethylfuran-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
PubChem CID62345258
Molecular FormulaC15H20N2OS
Molecular Weight276.41 g/mol
Exact Mass276.13
IUPAC NameN-ethyl-2-(5-ethylfuran-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
SMILESCCNC1CCCc2nc(-c3ccc(CC)o3)sc21
InChIInChI=1S/C15H20N2OS/c1-3-10-8-9-13(18-10)15-17-12-7-5-6-11(16-4-2)14(12)19-15/h8-9,11,16H,3-7H2,1-2H3
InChIKeyLECHSAAFIRVHHO-UHFFFAOYSA-N
XLogP3.95
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 ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(5-ethylfuran-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
The IUPAC name of N-ethyl-2-(5-ethylfuran-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (CID 62345258) is N-ethyl-2-(5-ethylfuran-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine.
What is the SMILES notation for N-ethyl-2-(5-ethylfuran-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
The canonical SMILES for N-ethyl-2-(5-ethylfuran-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine is CCNC1CCCc2nc(-c3ccc(CC)o3)sc21.
What is the InChIKey of N-ethyl-2-(5-ethylfuran-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
The InChIKey is LECHSAAFIRVHHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS/c1-3-10-8-9-13(18-10)15-17-12-7-5-6-11(16-4-2)14(12)19-15/h8-9,11,16H,3-7H2,1-2H3.
What are the key properties of N-ethyl-2-(5-ethylfuran-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
N-ethyl-2-(5-ethylfuran-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine has a molecular weight of 276.41 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(5-ethylfuran-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine is sourced from PubChem (CID 62345258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).