N,5,5-trimethyl-2-pyridin-2-yl-6,7-dihydro-4H-1,3-benzothiazol-7-amine

C15H19N3S — CID 55032902

IUPACN,5,5-trimethyl-2-pyridin-2-yl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
SMILESCNC1CC(C)(C)Cc2nc(-c3ccccn3)sc21
InChIInChI=1S/C15H19N3S/c1-15(2)8-11(16-3)13-12(9-15)18-14(19-13)10-6-4-5-7-17-10/h4-7,11,16H,8-9H2,1-3H3
InChIKeyOOWLIUHEPLDLQF-UHFFFAOYSA-N
MW273.40 g/mol
LogP3.44
Rot. Bonds2

About N,5,5-trimethyl-2-pyridin-2-yl-6,7-dihydro-4H-1,3-benzothiazol-7-amine

N,5,5-trimethyl-2-pyridin-2-yl-6,7-dihydro-4H-1,3-benzothiazol-7-amine (PubChem CID 55032902) has the molecular formula C15H19N3S and a molecular weight of 273.40 g/mol. Its IUPAC name is N,5,5-trimethyl-2-pyridin-2-yl-6,7-dihydro-4H-1,3-benzothiazol-7-amine.

Molecular Properties

Compound NameN,5,5-trimethyl-2-pyridin-2-yl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
PubChem CID55032902
Molecular FormulaC15H19N3S
Molecular Weight273.40 g/mol
Exact Mass273.13
IUPAC NameN,5,5-trimethyl-2-pyridin-2-yl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
SMILESCNC1CC(C)(C)Cc2nc(-c3ccccn3)sc21
InChIInChI=1S/C15H19N3S/c1-15(2)8-11(16-3)13-12(9-15)18-14(19-13)10-6-4-5-7-17-10/h4-7,11,16H,8-9H2,1-3H3
InChIKeyOOWLIUHEPLDLQF-UHFFFAOYSA-N
XLogP3.44
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,5,5-trimethyl-2-pyridin-2-yl-6,7-dihydro-4H-1,3-benzothiazol-7-amine?
The IUPAC name of N,5,5-trimethyl-2-pyridin-2-yl-6,7-dihydro-4H-1,3-benzothiazol-7-amine (CID 55032902) is N,5,5-trimethyl-2-pyridin-2-yl-6,7-dihydro-4H-1,3-benzothiazol-7-amine.
What is the SMILES notation for N,5,5-trimethyl-2-pyridin-2-yl-6,7-dihydro-4H-1,3-benzothiazol-7-amine?
The canonical SMILES for N,5,5-trimethyl-2-pyridin-2-yl-6,7-dihydro-4H-1,3-benzothiazol-7-amine is CNC1CC(C)(C)Cc2nc(-c3ccccn3)sc21.
What is the InChIKey of N,5,5-trimethyl-2-pyridin-2-yl-6,7-dihydro-4H-1,3-benzothiazol-7-amine?
The InChIKey is OOWLIUHEPLDLQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3S/c1-15(2)8-11(16-3)13-12(9-15)18-14(19-13)10-6-4-5-7-17-10/h4-7,11,16H,8-9H2,1-3H3.
What are the key properties of N,5,5-trimethyl-2-pyridin-2-yl-6,7-dihydro-4H-1,3-benzothiazol-7-amine?
N,5,5-trimethyl-2-pyridin-2-yl-6,7-dihydro-4H-1,3-benzothiazol-7-amine has a molecular weight of 273.40 g/mol, XLogP of 3.44, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,5,5-trimethyl-2-pyridin-2-yl-6,7-dihydro-4H-1,3-benzothiazol-7-amine is sourced from PubChem (CID 55032902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).