2,2-dimethyl-1-(5,5,7,7-tetramethyl-4,6-dihydro-1,3-benzothiazol-2-yl)propan-1-amine

C16H28N2S — CID 112682486

IUPAC2,2-dimethyl-1-(5,5,7,7-tetramethyl-4,6-dihydro-1,3-benzothiazol-2-yl)propan-1-amine
SMILESCC1(C)Cc2nc(C(N)C(C)(C)C)sc2C(C)(C)C1
InChIInChI=1S/C16H28N2S/c1-14(2,3)11(17)13-18-10-8-15(4,5)9-16(6,7)12(10)19-13/h11H,8-9,17H2,1-7H3
InChIKeyIZZCMINADPJQSK-UHFFFAOYSA-N
MW280.48 g/mol
LogP4.44
Rot. Bonds1

About 2,2-dimethyl-1-(5,5,7,7-tetramethyl-4,6-dihydro-1,3-benzothiazol-2-yl)propan-1-amine

2,2-dimethyl-1-(5,5,7,7-tetramethyl-4,6-dihydro-1,3-benzothiazol-2-yl)propan-1-amine (PubChem CID 112682486) has the molecular formula C16H28N2S and a molecular weight of 280.48 g/mol. Its IUPAC name is 2,2-dimethyl-1-(5,5,7,7-tetramethyl-4,6-dihydro-1,3-benzothiazol-2-yl)propan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-1-(5,5,7,7-tetramethyl-4,6-dihydro-1,3-benzothiazol-2-yl)propan-1-amine
PubChem CID112682486
Molecular FormulaC16H28N2S
Molecular Weight280.48 g/mol
Exact Mass280.20
IUPAC Name2,2-dimethyl-1-(5,5,7,7-tetramethyl-4,6-dihydro-1,3-benzothiazol-2-yl)propan-1-amine
SMILESCC1(C)Cc2nc(C(N)C(C)(C)C)sc2C(C)(C)C1
InChIInChI=1S/C16H28N2S/c1-14(2,3)11(17)13-18-10-8-15(4,5)9-16(6,7)12(10)19-13/h11H,8-9,17H2,1-7H3
InChIKeyIZZCMINADPJQSK-UHFFFAOYSA-N
XLogP4.44
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.48
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,2-dimethyl-1-(5,5,7,7-tetramethyl-4,6-dihydro-1,3-benzothiazol-2-yl)propan-1-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-(5,5,7,7-tetramethyl-4,6-dihydro-1,3-benzothiazol-2-yl)propan-1-amine?
The IUPAC name of 2,2-dimethyl-1-(5,5,7,7-tetramethyl-4,6-dihydro-1,3-benzothiazol-2-yl)propan-1-amine (CID 112682486) is 2,2-dimethyl-1-(5,5,7,7-tetramethyl-4,6-dihydro-1,3-benzothiazol-2-yl)propan-1-amine.
What is the SMILES notation for 2,2-dimethyl-1-(5,5,7,7-tetramethyl-4,6-dihydro-1,3-benzothiazol-2-yl)propan-1-amine?
The canonical SMILES for 2,2-dimethyl-1-(5,5,7,7-tetramethyl-4,6-dihydro-1,3-benzothiazol-2-yl)propan-1-amine is CC1(C)Cc2nc(C(N)C(C)(C)C)sc2C(C)(C)C1.
What is the InChIKey of 2,2-dimethyl-1-(5,5,7,7-tetramethyl-4,6-dihydro-1,3-benzothiazol-2-yl)propan-1-amine?
The InChIKey is IZZCMINADPJQSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2S/c1-14(2,3)11(17)13-18-10-8-15(4,5)9-16(6,7)12(10)19-13/h11H,8-9,17H2,1-7H3.
What are the key properties of 2,2-dimethyl-1-(5,5,7,7-tetramethyl-4,6-dihydro-1,3-benzothiazol-2-yl)propan-1-amine?
2,2-dimethyl-1-(5,5,7,7-tetramethyl-4,6-dihydro-1,3-benzothiazol-2-yl)propan-1-amine has a molecular weight of 280.48 g/mol, XLogP of 4.44, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-(5,5,7,7-tetramethyl-4,6-dihydro-1,3-benzothiazol-2-yl)propan-1-amine is sourced from PubChem (CID 112682486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).