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

C16H16N2OS — CID 64975514

IUPAC2-(1-benzofuran-2-yl)-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
SMILESCNC1CCCc2sc(-c3cc4ccccc4o3)nc21
InChIInChI=1S/C16H16N2OS/c1-17-11-6-4-8-14-15(11)18-16(20-14)13-9-10-5-2-3-7-12(10)19-13/h2-3,5,7,9,11,17H,4,6,8H2,1H3
InChIKeyAUWDUWRNEMINHZ-UHFFFAOYSA-N
MW284.38 g/mol
LogP4.15
Rot. Bonds2

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

2-(1-benzofuran-2-yl)-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine (PubChem CID 64975514) has the molecular formula C16H16N2OS and a molecular weight of 284.38 g/mol. Its IUPAC name is 2-(1-benzofuran-2-yl)-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine.

Molecular Properties

Compound Name2-(1-benzofuran-2-yl)-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
PubChem CID64975514
Molecular FormulaC16H16N2OS
Molecular Weight284.38 g/mol
Exact Mass284.10
IUPAC Name2-(1-benzofuran-2-yl)-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
SMILESCNC1CCCc2sc(-c3cc4ccccc4o3)nc21
InChIInChI=1S/C16H16N2OS/c1-17-11-6-4-8-14-15(11)18-16(20-14)13-9-10-5-2-3-7-12(10)19-13/h2-3,5,7,9,11,17H,4,6,8H2,1H3
InChIKeyAUWDUWRNEMINHZ-UHFFFAOYSA-N
XLogP4.15
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-benzofuran-2-yl)-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine?
The IUPAC name of 2-(1-benzofuran-2-yl)-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine (CID 64975514) is 2-(1-benzofuran-2-yl)-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine.
What is the SMILES notation for 2-(1-benzofuran-2-yl)-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine?
The canonical SMILES for 2-(1-benzofuran-2-yl)-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine is CNC1CCCc2sc(-c3cc4ccccc4o3)nc21.
What is the InChIKey of 2-(1-benzofuran-2-yl)-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine?
The InChIKey is AUWDUWRNEMINHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2OS/c1-17-11-6-4-8-14-15(11)18-16(20-14)13-9-10-5-2-3-7-12(10)19-13/h2-3,5,7,9,11,17H,4,6,8H2,1H3.
What are the key properties of 2-(1-benzofuran-2-yl)-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine?
2-(1-benzofuran-2-yl)-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine has a molecular weight of 284.38 g/mol, XLogP of 4.15, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzofuran-2-yl)-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine is sourced from PubChem (CID 64975514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).