2-(1-methoxyethyl)-N,5,5-trimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine

C13H22N2OS — CID 79616254

IUPAC2-(1-methoxyethyl)-N,5,5-trimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
SMILESCNC1CC(C)(C)Cc2nc(C(C)OC)sc21
InChIInChI=1S/C13H22N2OS/c1-8(16-5)12-15-10-7-13(2,3)6-9(14-4)11(10)17-12/h8-9,14H,6-7H2,1-5H3
InChIKeyGAOSGYRVGDRRDG-UHFFFAOYSA-N
MW254.40 g/mol
LogP3.08
Rot. Bonds3

About 2-(1-methoxyethyl)-N,5,5-trimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine

2-(1-methoxyethyl)-N,5,5-trimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine (PubChem CID 79616254) has the molecular formula C13H22N2OS and a molecular weight of 254.40 g/mol. Its IUPAC name is 2-(1-methoxyethyl)-N,5,5-trimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine.

Molecular Properties

Compound Name2-(1-methoxyethyl)-N,5,5-trimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
PubChem CID79616254
Molecular FormulaC13H22N2OS
Molecular Weight254.40 g/mol
Exact Mass254.15
IUPAC Name2-(1-methoxyethyl)-N,5,5-trimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
SMILESCNC1CC(C)(C)Cc2nc(C(C)OC)sc21
InChIInChI=1S/C13H22N2OS/c1-8(16-5)12-15-10-7-13(2,3)6-9(14-4)11(10)17-12/h8-9,14H,6-7H2,1-5H3
InChIKeyGAOSGYRVGDRRDG-UHFFFAOYSA-N
XLogP3.08
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxyethyl)-N,5,5-trimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine?
The IUPAC name of 2-(1-methoxyethyl)-N,5,5-trimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine (CID 79616254) is 2-(1-methoxyethyl)-N,5,5-trimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine.
What is the SMILES notation for 2-(1-methoxyethyl)-N,5,5-trimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine?
The canonical SMILES for 2-(1-methoxyethyl)-N,5,5-trimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine is CNC1CC(C)(C)Cc2nc(C(C)OC)sc21.
What is the InChIKey of 2-(1-methoxyethyl)-N,5,5-trimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine?
The InChIKey is GAOSGYRVGDRRDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2OS/c1-8(16-5)12-15-10-7-13(2,3)6-9(14-4)11(10)17-12/h8-9,14H,6-7H2,1-5H3.
What are the key properties of 2-(1-methoxyethyl)-N,5,5-trimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine?
2-(1-methoxyethyl)-N,5,5-trimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine has a molecular weight of 254.40 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxyethyl)-N,5,5-trimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine is sourced from PubChem (CID 79616254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).