2-N-benzyl-2-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine

C15H19N3S — CID 62751174

IUPAC2-N-benzyl-2-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine
SMILESCN(Cc1ccccc1)c1nc2c(s1)C(N)CCC2
InChIInChI=1S/C15H19N3S/c1-18(10-11-6-3-2-4-7-11)15-17-13-9-5-8-12(16)14(13)19-15/h2-4,6-7,12H,5,8-10,16H2,1H3
InChIKeyHGNDMFYHEUTJDX-UHFFFAOYSA-N
MW273.40 g/mol
LogP3.12
Rot. Bonds3

About 2-N-benzyl-2-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine

2-N-benzyl-2-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine (PubChem CID 62751174) has the molecular formula C15H19N3S and a molecular weight of 273.40 g/mol. Its IUPAC name is 2-N-benzyl-2-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine.

Molecular Properties

Compound Name2-N-benzyl-2-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine
PubChem CID62751174
Molecular FormulaC15H19N3S
Molecular Weight273.40 g/mol
Exact Mass273.13
IUPAC Name2-N-benzyl-2-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine
SMILESCN(Cc1ccccc1)c1nc2c(s1)C(N)CCC2
InChIInChI=1S/C15H19N3S/c1-18(10-11-6-3-2-4-7-11)15-17-13-9-5-8-12(16)14(13)19-15/h2-4,6-7,12H,5,8-10,16H2,1H3
InChIKeyHGNDMFYHEUTJDX-UHFFFAOYSA-N
XLogP3.12
TPSA42.15 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 ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N-benzyl-2-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine?
The IUPAC name of 2-N-benzyl-2-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine (CID 62751174) is 2-N-benzyl-2-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine.
What is the SMILES notation for 2-N-benzyl-2-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine?
The canonical SMILES for 2-N-benzyl-2-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine is CN(Cc1ccccc1)c1nc2c(s1)C(N)CCC2.
What is the InChIKey of 2-N-benzyl-2-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine?
The InChIKey is HGNDMFYHEUTJDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3S/c1-18(10-11-6-3-2-4-7-11)15-17-13-9-5-8-12(16)14(13)19-15/h2-4,6-7,12H,5,8-10,16H2,1H3.
What are the key properties of 2-N-benzyl-2-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine?
2-N-benzyl-2-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine has a molecular weight of 273.40 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-benzyl-2-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine is sourced from PubChem (CID 62751174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).