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

C16H28N2OS — CID 106815126

IUPAC2-(2-ethoxyethyl)-5,5-dimethyl-N-propyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
SMILESCCCNC1CC(C)(C)Cc2nc(CCOCC)sc21
InChIInChI=1S/C16H28N2OS/c1-5-8-17-12-10-16(3,4)11-13-15(12)20-14(18-13)7-9-19-6-2/h12,17H,5-11H2,1-4H3
InChIKeyCTPUSNLAUKGBMX-UHFFFAOYSA-N
MW296.48 g/mol
LogP3.74
Rot. Bonds7

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

2-(2-ethoxyethyl)-5,5-dimethyl-N-propyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine (PubChem CID 106815126) has the molecular formula C16H28N2OS and a molecular weight of 296.48 g/mol. Its IUPAC name is 2-(2-ethoxyethyl)-5,5-dimethyl-N-propyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine.

Molecular Properties

Compound Name2-(2-ethoxyethyl)-5,5-dimethyl-N-propyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
PubChem CID106815126
Molecular FormulaC16H28N2OS
Molecular Weight296.48 g/mol
Exact Mass296.19
IUPAC Name2-(2-ethoxyethyl)-5,5-dimethyl-N-propyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
SMILESCCCNC1CC(C)(C)Cc2nc(CCOCC)sc21
InChIInChI=1S/C16H28N2OS/c1-5-8-17-12-10-16(3,4)11-13-15(12)20-14(18-13)7-9-19-6-2/h12,17H,5-11H2,1-4H3
InChIKeyCTPUSNLAUKGBMX-UHFFFAOYSA-N
XLogP3.74
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.48
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-butyl-N-ethyl-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
CID 79411678
2-(1-methoxypropan-2-yl)-5,5-dimethyl-N-propyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
CID 116502754
5,5-dimethyl-2-(oxolan-3-yl)-N-propyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
CID 62312573
5,5-dimethyl-2-morpholin-4-yl-N-propyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
CID 62749868
2-(3-bromothiophen-2-yl)-5,5-dimethyl-N-propyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
CID 115381089
2-(5-chloro-1,3-thiazol-2-yl)-5,5-dimethyl-N-propyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
CID 107125227
2-[2-(dimethylamino)ethyl]-N,5,5-trimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
CID 115346941
2-butyl-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 79411549
N,5,5-trimethyl-2-(methylsulfanylmethyl)-6,7-dihydro-4H-1,3-benzothiazol-7-amine
CID 62693627
2-(2-ethoxyethyl)-N-propyl-5,6,7,8-tetrahydroquinazolin-5-amine
CID 106815190
2-cycloheptyl-N-ethyl-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
CID 65398906
2-[(2-bromophenyl)methyl]-N,5,5-trimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
CID 62830365

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyethyl)-5,5-dimethyl-N-propyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine?
The IUPAC name of 2-(2-ethoxyethyl)-5,5-dimethyl-N-propyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine (CID 106815126) is 2-(2-ethoxyethyl)-5,5-dimethyl-N-propyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine.
What is the SMILES notation for 2-(2-ethoxyethyl)-5,5-dimethyl-N-propyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine?
The canonical SMILES for 2-(2-ethoxyethyl)-5,5-dimethyl-N-propyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine is CCCNC1CC(C)(C)Cc2nc(CCOCC)sc21.
What is the InChIKey of 2-(2-ethoxyethyl)-5,5-dimethyl-N-propyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine?
The InChIKey is CTPUSNLAUKGBMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2OS/c1-5-8-17-12-10-16(3,4)11-13-15(12)20-14(18-13)7-9-19-6-2/h12,17H,5-11H2,1-4H3.
What are the key properties of 2-(2-ethoxyethyl)-5,5-dimethyl-N-propyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine?
2-(2-ethoxyethyl)-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 3.74, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyethyl)-5,5-dimethyl-N-propyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine is sourced from PubChem (CID 106815126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).