2-N,7-N-dimethyl-2-N-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine

C15H19N3S — CID 62751242

IUPAC2-N,7-N-dimethyl-2-N-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine
SMILESCNC1CCCc2nc(N(C)c3ccccc3)sc21
InChIInChI=1S/C15H19N3S/c1-16-12-9-6-10-13-14(12)19-15(17-13)18(2)11-7-4-3-5-8-11/h3-5,7-8,12,16H,6,9-10H2,1-2H3
InChIKeyHCGDEYJVSGOLSR-UHFFFAOYSA-N
MW273.40 g/mol
LogP3.51
Rot. Bonds3

About 2-N,7-N-dimethyl-2-N-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine

2-N,7-N-dimethyl-2-N-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine (PubChem CID 62751242) has the molecular formula C15H19N3S and a molecular weight of 273.40 g/mol. Its IUPAC name is 2-N,7-N-dimethyl-2-N-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine.

Molecular Properties

Compound Name2-N,7-N-dimethyl-2-N-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine
PubChem CID62751242
Molecular FormulaC15H19N3S
Molecular Weight273.40 g/mol
Exact Mass273.13
IUPAC Name2-N,7-N-dimethyl-2-N-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine
SMILESCNC1CCCc2nc(N(C)c3ccccc3)sc21
InChIInChI=1S/C15H19N3S/c1-16-12-9-6-10-13-14(12)19-15(17-13)18(2)11-7-4-3-5-8-11/h3-5,7-8,12,16H,6,9-10H2,1-2H3
InChIKeyHCGDEYJVSGOLSR-UHFFFAOYSA-N
XLogP3.51
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N,7-N-dimethyl-2-N-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine?
The IUPAC name of 2-N,7-N-dimethyl-2-N-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine (CID 62751242) is 2-N,7-N-dimethyl-2-N-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine.
What is the SMILES notation for 2-N,7-N-dimethyl-2-N-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine?
The canonical SMILES for 2-N,7-N-dimethyl-2-N-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine is CNC1CCCc2nc(N(C)c3ccccc3)sc21.
What is the InChIKey of 2-N,7-N-dimethyl-2-N-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine?
The InChIKey is HCGDEYJVSGOLSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3S/c1-16-12-9-6-10-13-14(12)19-15(17-13)18(2)11-7-4-3-5-8-11/h3-5,7-8,12,16H,6,9-10H2,1-2H3.
What are the key properties of 2-N,7-N-dimethyl-2-N-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine?
2-N,7-N-dimethyl-2-N-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine has a molecular weight of 273.40 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,7-N-dimethyl-2-N-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine is sourced from PubChem (CID 62751242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).