2-N-(3,3-dimethylbutan-2-yl)-2-N,7-N-dimethyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine

C15H27N3S — CID 62754583

IUPAC2-N-(3,3-dimethylbutan-2-yl)-2-N,7-N-dimethyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine
SMILESCNC1CCCc2nc(N(C)C(C)C(C)(C)C)sc21
InChIInChI=1S/C15H27N3S/c1-10(15(2,3)4)18(6)14-17-12-9-7-8-11(16-5)13(12)19-14/h10-11,16H,7-9H2,1-6H3
InChIKeyNWRWNMVIYGQGLO-UHFFFAOYSA-N
MW281.47 g/mol
LogP3.61
Rot. Bonds3

About 2-N-(3,3-dimethylbutan-2-yl)-2-N,7-N-dimethyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine

2-N-(3,3-dimethylbutan-2-yl)-2-N,7-N-dimethyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine (PubChem CID 62754583) has the molecular formula C15H27N3S and a molecular weight of 281.47 g/mol. Its IUPAC name is 2-N-(3,3-dimethylbutan-2-yl)-2-N,7-N-dimethyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine.

Molecular Properties

Compound Name2-N-(3,3-dimethylbutan-2-yl)-2-N,7-N-dimethyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine
PubChem CID62754583
Molecular FormulaC15H27N3S
Molecular Weight281.47 g/mol
Exact Mass281.19
IUPAC Name2-N-(3,3-dimethylbutan-2-yl)-2-N,7-N-dimethyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine
SMILESCNC1CCCc2nc(N(C)C(C)C(C)(C)C)sc21
InChIInChI=1S/C15H27N3S/c1-10(15(2,3)4)18(6)14-17-12-9-7-8-11(16-5)13(12)19-14/h10-11,16H,7-9H2,1-6H3
InChIKeyNWRWNMVIYGQGLO-UHFFFAOYSA-N
XLogP3.61
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.47
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N-(3,3-dimethylbutan-2-yl)-2-N,7-N-dimethyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine?
The IUPAC name of 2-N-(3,3-dimethylbutan-2-yl)-2-N,7-N-dimethyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine (CID 62754583) is 2-N-(3,3-dimethylbutan-2-yl)-2-N,7-N-dimethyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine.
What is the SMILES notation for 2-N-(3,3-dimethylbutan-2-yl)-2-N,7-N-dimethyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine?
The canonical SMILES for 2-N-(3,3-dimethylbutan-2-yl)-2-N,7-N-dimethyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine is CNC1CCCc2nc(N(C)C(C)C(C)(C)C)sc21.
What is the InChIKey of 2-N-(3,3-dimethylbutan-2-yl)-2-N,7-N-dimethyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine?
The InChIKey is NWRWNMVIYGQGLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3S/c1-10(15(2,3)4)18(6)14-17-12-9-7-8-11(16-5)13(12)19-14/h10-11,16H,7-9H2,1-6H3.
What are the key properties of 2-N-(3,3-dimethylbutan-2-yl)-2-N,7-N-dimethyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine?
2-N-(3,3-dimethylbutan-2-yl)-2-N,7-N-dimethyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine has a molecular weight of 281.47 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3,3-dimethylbutan-2-yl)-2-N,7-N-dimethyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine is sourced from PubChem (CID 62754583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).