1-[2-[2-(azepan-1-yl)ethyl]-4-ethyl-1,3-thiazol-5-yl]ethanamine

C15H27N3S — CID 82430846

IUPAC1-[2-[2-(azepan-1-yl)ethyl]-4-ethyl-1,3-thiazol-5-yl]ethanamine
SMILESCCc1nc(CCN2CCCCCC2)sc1C(C)N
InChIInChI=1S/C15H27N3S/c1-3-13-15(12(2)16)19-14(17-13)8-11-18-9-6-4-5-7-10-18/h12H,3-11,16H2,1-2H3
InChIKeyAPYKIMYNXFFACJ-UHFFFAOYSA-N
MW281.47 g/mol
LogP3.14
Rot. Bonds5

About 1-[2-[2-(azepan-1-yl)ethyl]-4-ethyl-1,3-thiazol-5-yl]ethanamine

1-[2-[2-(azepan-1-yl)ethyl]-4-ethyl-1,3-thiazol-5-yl]ethanamine (PubChem CID 82430846) has the molecular formula C15H27N3S and a molecular weight of 281.47 g/mol. Its IUPAC name is 1-[2-[2-(azepan-1-yl)ethyl]-4-ethyl-1,3-thiazol-5-yl]ethanamine.

Molecular Properties

Compound Name1-[2-[2-(azepan-1-yl)ethyl]-4-ethyl-1,3-thiazol-5-yl]ethanamine
PubChem CID82430846
Molecular FormulaC15H27N3S
Molecular Weight281.47 g/mol
Exact Mass281.19
IUPAC Name1-[2-[2-(azepan-1-yl)ethyl]-4-ethyl-1,3-thiazol-5-yl]ethanamine
SMILESCCc1nc(CCN2CCCCCC2)sc1C(C)N
InChIInChI=1S/C15H27N3S/c1-3-13-15(12(2)16)19-14(17-13)8-11-18-9-6-4-5-7-10-18/h12H,3-11,16H2,1-2H3
InChIKeyAPYKIMYNXFFACJ-UHFFFAOYSA-N
XLogP3.14
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.47
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(azepan-1-yl)ethyl]-4-ethyl-1,3-thiazol-5-yl]ethanamine?
The IUPAC name of 1-[2-[2-(azepan-1-yl)ethyl]-4-ethyl-1,3-thiazol-5-yl]ethanamine (CID 82430846) is 1-[2-[2-(azepan-1-yl)ethyl]-4-ethyl-1,3-thiazol-5-yl]ethanamine.
What is the SMILES notation for 1-[2-[2-(azepan-1-yl)ethyl]-4-ethyl-1,3-thiazol-5-yl]ethanamine?
The canonical SMILES for 1-[2-[2-(azepan-1-yl)ethyl]-4-ethyl-1,3-thiazol-5-yl]ethanamine is CCc1nc(CCN2CCCCCC2)sc1C(C)N.
What is the InChIKey of 1-[2-[2-(azepan-1-yl)ethyl]-4-ethyl-1,3-thiazol-5-yl]ethanamine?
The InChIKey is APYKIMYNXFFACJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3S/c1-3-13-15(12(2)16)19-14(17-13)8-11-18-9-6-4-5-7-10-18/h12H,3-11,16H2,1-2H3.
What are the key properties of 1-[2-[2-(azepan-1-yl)ethyl]-4-ethyl-1,3-thiazol-5-yl]ethanamine?
1-[2-[2-(azepan-1-yl)ethyl]-4-ethyl-1,3-thiazol-5-yl]ethanamine has a molecular weight of 281.47 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(azepan-1-yl)ethyl]-4-ethyl-1,3-thiazol-5-yl]ethanamine is sourced from PubChem (CID 82430846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).