2-N,7-N,5,5-tetramethyl-2-N-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-1,3-benzothiazole-2,7-diamine

C13H20F3N3S — CID 62750609

IUPAC2-N,7-N,5,5-tetramethyl-2-N-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-1,3-benzothiazole-2,7-diamine
SMILESCNC1CC(C)(C)Cc2nc(N(C)CC(F)(F)F)sc21
InChIInChI=1S/C13H20F3N3S/c1-12(2)5-8(17-3)10-9(6-12)18-11(20-10)19(4)7-13(14,15)16/h8,17H,5-7H2,1-4H3
InChIKeyZFCLIAAHBXJYKD-UHFFFAOYSA-N
MW307.39 g/mol
LogP3.37
Rot. Bonds3

About 2-N,7-N,5,5-tetramethyl-2-N-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-1,3-benzothiazole-2,7-diamine

2-N,7-N,5,5-tetramethyl-2-N-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-1,3-benzothiazole-2,7-diamine (PubChem CID 62750609) has the molecular formula C13H20F3N3S and a molecular weight of 307.39 g/mol. Its IUPAC name is 2-N,7-N,5,5-tetramethyl-2-N-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-1,3-benzothiazole-2,7-diamine.

Molecular Properties

Compound Name2-N,7-N,5,5-tetramethyl-2-N-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-1,3-benzothiazole-2,7-diamine
PubChem CID62750609
Molecular FormulaC13H20F3N3S
Molecular Weight307.39 g/mol
Exact Mass307.13
IUPAC Name2-N,7-N,5,5-tetramethyl-2-N-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-1,3-benzothiazole-2,7-diamine
SMILESCNC1CC(C)(C)Cc2nc(N(C)CC(F)(F)F)sc21
InChIInChI=1S/C13H20F3N3S/c1-12(2)5-8(17-3)10-9(6-12)18-11(20-10)19(4)7-13(14,15)16/h8,17H,5-7H2,1-4H3
InChIKeyZFCLIAAHBXJYKD-UHFFFAOYSA-N
XLogP3.37
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 53.37
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,5,5-tetramethyl-2-N-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-1,3-benzothiazole-2,7-diamine?
The IUPAC name of 2-N,7-N,5,5-tetramethyl-2-N-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-1,3-benzothiazole-2,7-diamine (CID 62750609) is 2-N,7-N,5,5-tetramethyl-2-N-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-1,3-benzothiazole-2,7-diamine.
What is the SMILES notation for 2-N,7-N,5,5-tetramethyl-2-N-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-1,3-benzothiazole-2,7-diamine?
The canonical SMILES for 2-N,7-N,5,5-tetramethyl-2-N-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-1,3-benzothiazole-2,7-diamine is CNC1CC(C)(C)Cc2nc(N(C)CC(F)(F)F)sc21.
What is the InChIKey of 2-N,7-N,5,5-tetramethyl-2-N-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-1,3-benzothiazole-2,7-diamine?
The InChIKey is ZFCLIAAHBXJYKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3N3S/c1-12(2)5-8(17-3)10-9(6-12)18-11(20-10)19(4)7-13(14,15)16/h8,17H,5-7H2,1-4H3.
What are the key properties of 2-N,7-N,5,5-tetramethyl-2-N-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-1,3-benzothiazole-2,7-diamine?
2-N,7-N,5,5-tetramethyl-2-N-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-1,3-benzothiazole-2,7-diamine has a molecular weight of 307.39 g/mol, XLogP of 3.37, 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,5,5-tetramethyl-2-N-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-1,3-benzothiazole-2,7-diamine is sourced from PubChem (CID 62750609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).