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

C16H27N3OS — CID 102968446

IUPAC2-(3-methoxypiperidin-1-yl)-N,5,5-trimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
SMILESCNC1CC(C)(C)Cc2nc(N3CCCC(OC)C3)sc21
InChIInChI=1S/C16H27N3OS/c1-16(2)8-12(17-3)14-13(9-16)18-15(21-14)19-7-5-6-11(10-19)20-4/h11-12,17H,5-10H2,1-4H3
InChIKeyCMCXOMKQNHUFGF-UHFFFAOYSA-N
MW309.48 g/mol
LogP2.99
Rot. Bonds3

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

2-(3-methoxypiperidin-1-yl)-N,5,5-trimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine (PubChem CID 102968446) has the molecular formula C16H27N3OS and a molecular weight of 309.48 g/mol. Its IUPAC name is 2-(3-methoxypiperidin-1-yl)-N,5,5-trimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine.

Molecular Properties

Compound Name2-(3-methoxypiperidin-1-yl)-N,5,5-trimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
PubChem CID102968446
Molecular FormulaC16H27N3OS
Molecular Weight309.48 g/mol
Exact Mass309.19
IUPAC Name2-(3-methoxypiperidin-1-yl)-N,5,5-trimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
SMILESCNC1CC(C)(C)Cc2nc(N3CCCC(OC)C3)sc21
InChIInChI=1S/C16H27N3OS/c1-16(2)8-12(17-3)14-13(9-16)18-15(21-14)19-7-5-6-11(10-19)20-4/h11-12,17H,5-10H2,1-4H3
InChIKeyCMCXOMKQNHUFGF-UHFFFAOYSA-N
XLogP2.99
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.48
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(3-methoxypiperidin-1-yl)-N,5,5-trimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine with MolForge

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Related Compounds

2-(azepan-1-yl)-N,5,5-trimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
CID 62751071
2-(1-methoxyethyl)-N,5,5-trimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
CID 79616254
2-(2-ethylpiperidin-1-yl)-N,5,5-trimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
CID 62750247
N-ethyl-5,5-dimethyl-2-morpholin-4-yl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
CID 62749694
N-[[4-cyclopropyl-2-(3-methoxypiperidin-1-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 102968538
2-(3-methoxypentan-3-yl)-N,5,5-trimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
CID 116774476
2-(3-ethylmorpholin-4-yl)-N,5,5-trimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
CID 62752150
N,5,5-trimethyl-2-(oxan-4-yl)-6,7-dihydro-4H-1,3-benzothiazol-7-amine
CID 62387018
2-(4-methoxyphenyl)-N,5,5-trimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
CID 62090255
5,5-dimethyl-2-morpholin-4-yl-N-propyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
CID 62749868
N,5,5-trimethyl-2-(methylsulfanylmethyl)-6,7-dihydro-4H-1,3-benzothiazol-7-amine
CID 62693627
2-N-cyclopropyl-2-N-ethyl-7-N,5,5-trimethyl-6,7-dihydro-4H-1,3-benzothiazole-2,7-diamine
CID 62750758

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxypiperidin-1-yl)-N,5,5-trimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine?
The IUPAC name of 2-(3-methoxypiperidin-1-yl)-N,5,5-trimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine (CID 102968446) is 2-(3-methoxypiperidin-1-yl)-N,5,5-trimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine.
What is the SMILES notation for 2-(3-methoxypiperidin-1-yl)-N,5,5-trimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine?
The canonical SMILES for 2-(3-methoxypiperidin-1-yl)-N,5,5-trimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine is CNC1CC(C)(C)Cc2nc(N3CCCC(OC)C3)sc21.
What is the InChIKey of 2-(3-methoxypiperidin-1-yl)-N,5,5-trimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine?
The InChIKey is CMCXOMKQNHUFGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3OS/c1-16(2)8-12(17-3)14-13(9-16)18-15(21-14)19-7-5-6-11(10-19)20-4/h11-12,17H,5-10H2,1-4H3.
What are the key properties of 2-(3-methoxypiperidin-1-yl)-N,5,5-trimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine?
2-(3-methoxypiperidin-1-yl)-N,5,5-trimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine has a molecular weight of 309.48 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxypiperidin-1-yl)-N,5,5-trimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine is sourced from PubChem (CID 102968446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).