5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)-N-ethyl-1,3-thiazol-2-amine

C15H25N3S — CID 79772491

IUPAC5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)-N-ethyl-1,3-thiazol-2-amine
SMILESCCNc1ncc(CN2CCCC3CCCCC32)s1
InChIInChI=1S/C15H25N3S/c1-2-16-15-17-10-13(19-15)11-18-9-5-7-12-6-3-4-8-14(12)18/h10,12,14H,2-9,11H2,1H3,(H,16,17)
InChIKeyUMBSTRBJUHTUMU-UHFFFAOYSA-N
MW279.45 g/mol
LogP3.73
Rot. Bonds4

About 5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)-N-ethyl-1,3-thiazol-2-amine

5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)-N-ethyl-1,3-thiazol-2-amine (PubChem CID 79772491) has the molecular formula C15H25N3S and a molecular weight of 279.45 g/mol. Its IUPAC name is 5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)-N-ethyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)-N-ethyl-1,3-thiazol-2-amine
PubChem CID79772491
Molecular FormulaC15H25N3S
Molecular Weight279.45 g/mol
Exact Mass279.18
IUPAC Name5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)-N-ethyl-1,3-thiazol-2-amine
SMILESCCNc1ncc(CN2CCCC3CCCCC32)s1
InChIInChI=1S/C15H25N3S/c1-2-16-15-17-10-13(19-15)11-18-9-5-7-12-6-3-4-8-14(12)18/h10,12,14H,2-9,11H2,1H3,(H,16,17)
InChIKeyUMBSTRBJUHTUMU-UHFFFAOYSA-N
XLogP3.73
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.45
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)-N-ethyl-1,3-thiazol-2-amine?
The IUPAC name of 5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)-N-ethyl-1,3-thiazol-2-amine (CID 79772491) is 5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)-N-ethyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)-N-ethyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)-N-ethyl-1,3-thiazol-2-amine is CCNc1ncc(CN2CCCC3CCCCC32)s1.
What is the InChIKey of 5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)-N-ethyl-1,3-thiazol-2-amine?
The InChIKey is UMBSTRBJUHTUMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3S/c1-2-16-15-17-10-13(19-15)11-18-9-5-7-12-6-3-4-8-14(12)18/h10,12,14H,2-9,11H2,1H3,(H,16,17).
What are the key properties of 5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)-N-ethyl-1,3-thiazol-2-amine?
5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)-N-ethyl-1,3-thiazol-2-amine has a molecular weight of 279.45 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)-N-ethyl-1,3-thiazol-2-amine is sourced from PubChem (CID 79772491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).