2-(3,5-dimethylphenyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine

C17H22N2S — CID 62091322

IUPAC2-(3,5-dimethylphenyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
SMILESCc1cc(C)cc(-c2nc3c(s2)C(N)CC(C)(C)C3)c1
InChIInChI=1S/C17H22N2S/c1-10-5-11(2)7-12(6-10)16-19-14-9-17(3,4)8-13(18)15(14)20-16/h5-7,13H,8-9,18H2,1-4H3
InChIKeyDBBPDIDIBOVNAU-UHFFFAOYSA-N
MW286.44 g/mol
LogP4.40
Rot. Bonds1

About 2-(3,5-dimethylphenyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine

2-(3,5-dimethylphenyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine (PubChem CID 62091322) has the molecular formula C17H22N2S and a molecular weight of 286.44 g/mol. Its IUPAC name is 2-(3,5-dimethylphenyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine.

Molecular Properties

Compound Name2-(3,5-dimethylphenyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
PubChem CID62091322
Molecular FormulaC17H22N2S
Molecular Weight286.44 g/mol
Exact Mass286.15
IUPAC Name2-(3,5-dimethylphenyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
SMILESCc1cc(C)cc(-c2nc3c(s2)C(N)CC(C)(C)C3)c1
InChIInChI=1S/C17H22N2S/c1-10-5-11(2)7-12(6-10)16-19-14-9-17(3,4)8-13(18)15(14)20-16/h5-7,13H,8-9,18H2,1-4H3
InChIKeyDBBPDIDIBOVNAU-UHFFFAOYSA-N
XLogP4.40
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.44
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylphenyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine?
The IUPAC name of 2-(3,5-dimethylphenyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine (CID 62091322) is 2-(3,5-dimethylphenyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine.
What is the SMILES notation for 2-(3,5-dimethylphenyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine?
The canonical SMILES for 2-(3,5-dimethylphenyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine is Cc1cc(C)cc(-c2nc3c(s2)C(N)CC(C)(C)C3)c1.
What is the InChIKey of 2-(3,5-dimethylphenyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine?
The InChIKey is DBBPDIDIBOVNAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2S/c1-10-5-11(2)7-12(6-10)16-19-14-9-17(3,4)8-13(18)15(14)20-16/h5-7,13H,8-9,18H2,1-4H3.
What are the key properties of 2-(3,5-dimethylphenyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine?
2-(3,5-dimethylphenyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine has a molecular weight of 286.44 g/mol, XLogP of 4.40, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylphenyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine is sourced from PubChem (CID 62091322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).