N-[1-[2-(1-ethoxy-2,2-dimethylpropyl)-1,3-thiazol-4-yl]ethyl]propan-1-amine

C15H28N2OS — CID 116727826

IUPACN-[1-[2-(1-ethoxy-2,2-dimethylpropyl)-1,3-thiazol-4-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1csc(C(OCC)C(C)(C)C)n1
InChIInChI=1S/C15H28N2OS/c1-7-9-16-11(3)12-10-19-14(17-12)13(18-8-2)15(4,5)6/h10-11,13,16H,7-9H2,1-6H3
InChIKeyNEKRESKEHNWQPH-UHFFFAOYSA-N
MW284.47 g/mol
LogP4.33
Rot. Bonds7

About N-[1-[2-(1-ethoxy-2,2-dimethylpropyl)-1,3-thiazol-4-yl]ethyl]propan-1-amine

N-[1-[2-(1-ethoxy-2,2-dimethylpropyl)-1,3-thiazol-4-yl]ethyl]propan-1-amine (PubChem CID 116727826) has the molecular formula C15H28N2OS and a molecular weight of 284.47 g/mol. Its IUPAC name is N-[1-[2-(1-ethoxy-2,2-dimethylpropyl)-1,3-thiazol-4-yl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[2-(1-ethoxy-2,2-dimethylpropyl)-1,3-thiazol-4-yl]ethyl]propan-1-amine
PubChem CID116727826
Molecular FormulaC15H28N2OS
Molecular Weight284.47 g/mol
Exact Mass284.19
IUPAC NameN-[1-[2-(1-ethoxy-2,2-dimethylpropyl)-1,3-thiazol-4-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1csc(C(OCC)C(C)(C)C)n1
InChIInChI=1S/C15H28N2OS/c1-7-9-16-11(3)12-10-19-14(17-12)13(18-8-2)15(4,5)6/h10-11,13,16H,7-9H2,1-6H3
InChIKeyNEKRESKEHNWQPH-UHFFFAOYSA-N
XLogP4.33
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.47
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(1-ethoxy-2,2-dimethylpropyl)-1,3-thiazol-4-yl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[2-(1-ethoxy-2,2-dimethylpropyl)-1,3-thiazol-4-yl]ethyl]propan-1-amine (CID 116727826) is N-[1-[2-(1-ethoxy-2,2-dimethylpropyl)-1,3-thiazol-4-yl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[2-(1-ethoxy-2,2-dimethylpropyl)-1,3-thiazol-4-yl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[2-(1-ethoxy-2,2-dimethylpropyl)-1,3-thiazol-4-yl]ethyl]propan-1-amine is CCCNC(C)c1csc(C(OCC)C(C)(C)C)n1.
What is the InChIKey of N-[1-[2-(1-ethoxy-2,2-dimethylpropyl)-1,3-thiazol-4-yl]ethyl]propan-1-amine?
The InChIKey is NEKRESKEHNWQPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2OS/c1-7-9-16-11(3)12-10-19-14(17-12)13(18-8-2)15(4,5)6/h10-11,13,16H,7-9H2,1-6H3.
What are the key properties of N-[1-[2-(1-ethoxy-2,2-dimethylpropyl)-1,3-thiazol-4-yl]ethyl]propan-1-amine?
N-[1-[2-(1-ethoxy-2,2-dimethylpropyl)-1,3-thiazol-4-yl]ethyl]propan-1-amine has a molecular weight of 284.47 g/mol, XLogP of 4.33, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(1-ethoxy-2,2-dimethylpropyl)-1,3-thiazol-4-yl]ethyl]propan-1-amine is sourced from PubChem (CID 116727826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).