2-(1-methoxypropan-2-yl)-5,5-dimethyl-N-propyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine

C16H28N2OS — CID 116502754

IUPAC2-(1-methoxypropan-2-yl)-5,5-dimethyl-N-propyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
SMILESCCCNC1CC(C)(C)Cc2nc(C(C)COC)sc21
InChIInChI=1S/C16H28N2OS/c1-6-7-17-12-8-16(3,4)9-13-14(12)20-15(18-13)11(2)10-19-5/h11-12,17H,6-10H2,1-5H3
InChIKeyVRBXEAIHQXMOBB-UHFFFAOYSA-N
MW296.48 g/mol
LogP3.91
Rot. Bonds6

About 2-(1-methoxypropan-2-yl)-5,5-dimethyl-N-propyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine

2-(1-methoxypropan-2-yl)-5,5-dimethyl-N-propyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine (PubChem CID 116502754) has the molecular formula C16H28N2OS and a molecular weight of 296.48 g/mol. Its IUPAC name is 2-(1-methoxypropan-2-yl)-5,5-dimethyl-N-propyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine.

Molecular Properties

Compound Name2-(1-methoxypropan-2-yl)-5,5-dimethyl-N-propyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
PubChem CID116502754
Molecular FormulaC16H28N2OS
Molecular Weight296.48 g/mol
Exact Mass296.19
IUPAC Name2-(1-methoxypropan-2-yl)-5,5-dimethyl-N-propyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
SMILESCCCNC1CC(C)(C)Cc2nc(C(C)COC)sc21
InChIInChI=1S/C16H28N2OS/c1-6-7-17-12-8-16(3,4)9-13-14(12)20-15(18-13)11(2)10-19-5/h11-12,17H,6-10H2,1-5H3
InChIKeyVRBXEAIHQXMOBB-UHFFFAOYSA-N
XLogP3.91
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.48
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxypropan-2-yl)-5,5-dimethyl-N-propyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine?
The IUPAC name of 2-(1-methoxypropan-2-yl)-5,5-dimethyl-N-propyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine (CID 116502754) is 2-(1-methoxypropan-2-yl)-5,5-dimethyl-N-propyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine.
What is the SMILES notation for 2-(1-methoxypropan-2-yl)-5,5-dimethyl-N-propyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine?
The canonical SMILES for 2-(1-methoxypropan-2-yl)-5,5-dimethyl-N-propyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine is CCCNC1CC(C)(C)Cc2nc(C(C)COC)sc21.
What is the InChIKey of 2-(1-methoxypropan-2-yl)-5,5-dimethyl-N-propyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine?
The InChIKey is VRBXEAIHQXMOBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2OS/c1-6-7-17-12-8-16(3,4)9-13-14(12)20-15(18-13)11(2)10-19-5/h11-12,17H,6-10H2,1-5H3.
What are the key properties of 2-(1-methoxypropan-2-yl)-5,5-dimethyl-N-propyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine?
2-(1-methoxypropan-2-yl)-5,5-dimethyl-N-propyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine has a molecular weight of 296.48 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxypropan-2-yl)-5,5-dimethyl-N-propyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine is sourced from PubChem (CID 116502754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).