2-cyclobutyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine

C11H16N2S — CID 64984478

IUPAC2-cyclobutyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
SMILESNC1CCCc2sc(C3CCC3)nc21
InChIInChI=1S/C11H16N2S/c12-8-5-2-6-9-10(8)13-11(14-9)7-3-1-4-7/h7-8H,1-6,12H2
InChIKeyDGWIMHHCPHTPKY-UHFFFAOYSA-N
MW208.33 g/mol
LogP2.75
Rot. Bonds1

About 2-cyclobutyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine

2-cyclobutyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine (PubChem CID 64984478) has the molecular formula C11H16N2S and a molecular weight of 208.33 g/mol. Its IUPAC name is 2-cyclobutyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine.

Molecular Properties

Compound Name2-cyclobutyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
PubChem CID64984478
Molecular FormulaC11H16N2S
Molecular Weight208.33 g/mol
Exact Mass208.10
IUPAC Name2-cyclobutyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
SMILESNC1CCCc2sc(C3CCC3)nc21
InChIInChI=1S/C11H16N2S/c12-8-5-2-6-9-10(8)13-11(14-9)7-3-1-4-7/h7-8H,1-6,12H2
InChIKeyDGWIMHHCPHTPKY-UHFFFAOYSA-N
XLogP2.75
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.33
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine?
The IUPAC name of 2-cyclobutyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine (CID 64984478) is 2-cyclobutyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine.
What is the SMILES notation for 2-cyclobutyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine?
The canonical SMILES for 2-cyclobutyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine is NC1CCCc2sc(C3CCC3)nc21.
What is the InChIKey of 2-cyclobutyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine?
The InChIKey is DGWIMHHCPHTPKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2S/c12-8-5-2-6-9-10(8)13-11(14-9)7-3-1-4-7/h7-8H,1-6,12H2.
What are the key properties of 2-cyclobutyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine?
2-cyclobutyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine has a molecular weight of 208.33 g/mol, XLogP of 2.75, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine is sourced from PubChem (CID 64984478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).