2-(1-ethoxy-2-methylpropyl)-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine

C16H28N2OS — CID 116727867

IUPAC2-(1-ethoxy-2-methylpropyl)-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
SMILESCCCNC1CCCc2sc(C(OCC)C(C)C)nc21
InChIInChI=1S/C16H28N2OS/c1-5-10-17-12-8-7-9-13-14(12)18-16(20-13)15(11(3)4)19-6-2/h11-12,15,17H,5-10H2,1-4H3
InChIKeyRAQMQGYCIIBGMC-UHFFFAOYSA-N
MW296.48 g/mol
LogP4.25
Rot. Bonds7

About 2-(1-ethoxy-2-methylpropyl)-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine

2-(1-ethoxy-2-methylpropyl)-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine (PubChem CID 116727867) has the molecular formula C16H28N2OS and a molecular weight of 296.48 g/mol. Its IUPAC name is 2-(1-ethoxy-2-methylpropyl)-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine.

Molecular Properties

Compound Name2-(1-ethoxy-2-methylpropyl)-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
PubChem CID116727867
Molecular FormulaC16H28N2OS
Molecular Weight296.48 g/mol
Exact Mass296.19
IUPAC Name2-(1-ethoxy-2-methylpropyl)-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
SMILESCCCNC1CCCc2sc(C(OCC)C(C)C)nc21
InChIInChI=1S/C16H28N2OS/c1-5-10-17-12-8-7-9-13-14(12)18-16(20-13)15(11(3)4)19-6-2/h11-12,15,17H,5-10H2,1-4H3
InChIKeyRAQMQGYCIIBGMC-UHFFFAOYSA-N
XLogP4.25
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 ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methoxypropyl)-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
CID 113391642
2-cyclobutyl-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
CID 64984578
N-[[4-cyclopropyl-2-(1-ethoxy-2-methylpropyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 114367391
2-cyclooctyl-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
CID 80609684
2-(4-methylphenyl)-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
CID 64976016
N-propyl-2-pyrimidin-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
CID 64976044
N-[[4-cyclopropyl-2-(1-ethoxy-2-methylpropyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 114367791
2-(1-methoxycyclohexyl)-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
CID 116774684
N-propyl-2-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
CID 79965102
2-N-(2-methoxyethyl)-2-N-methyl-4-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine
CID 64977128
2-N-methyl-2-N-(oxan-4-yl)-4-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine
CID 64977333
N-[[4-cyclopropyl-2-(1-ethoxy-2-methylpropyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 114367234

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethoxy-2-methylpropyl)-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine?
The IUPAC name of 2-(1-ethoxy-2-methylpropyl)-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine (CID 116727867) is 2-(1-ethoxy-2-methylpropyl)-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine.
What is the SMILES notation for 2-(1-ethoxy-2-methylpropyl)-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine?
The canonical SMILES for 2-(1-ethoxy-2-methylpropyl)-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine is CCCNC1CCCc2sc(C(OCC)C(C)C)nc21.
What is the InChIKey of 2-(1-ethoxy-2-methylpropyl)-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine?
The InChIKey is RAQMQGYCIIBGMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2OS/c1-5-10-17-12-8-7-9-13-14(12)18-16(20-13)15(11(3)4)19-6-2/h11-12,15,17H,5-10H2,1-4H3.
What are the key properties of 2-(1-ethoxy-2-methylpropyl)-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine?
2-(1-ethoxy-2-methylpropyl)-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine has a molecular weight of 296.48 g/mol, XLogP of 4.25, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethoxy-2-methylpropyl)-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine is sourced from PubChem (CID 116727867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).