[2-(ethylamino)-1,3-thiazol-5-yl]-piperidin-1-ylmethanone

C11H17N3OS — CID 97236851

IUPAC[2-(ethylamino)-1,3-thiazol-5-yl]-piperidin-1-ylmethanone
SMILESCCNc1ncc(C(=O)N2CCCCC2)s1
InChIInChI=1S/C11H17N3OS/c1-2-12-11-13-8-9(16-11)10(15)14-6-4-3-5-7-14/h8H,2-7H2,1H3,(H,12,13)
InChIKeyIRGIHEBWQVNLTE-UHFFFAOYSA-N
MW239.34 g/mol
LogP2.20
Rot. Bonds3

About [2-(ethylamino)-1,3-thiazol-5-yl]-piperidin-1-ylmethanone

[2-(ethylamino)-1,3-thiazol-5-yl]-piperidin-1-ylmethanone (PubChem CID 97236851) has the molecular formula C11H17N3OS and a molecular weight of 239.34 g/mol. Its IUPAC name is [2-(ethylamino)-1,3-thiazol-5-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[2-(ethylamino)-1,3-thiazol-5-yl]-piperidin-1-ylmethanone
PubChem CID97236851
Molecular FormulaC11H17N3OS
Molecular Weight239.34 g/mol
Exact Mass239.11
IUPAC Name[2-(ethylamino)-1,3-thiazol-5-yl]-piperidin-1-ylmethanone
SMILESCCNc1ncc(C(=O)N2CCCCC2)s1
InChIInChI=1S/C11H17N3OS/c1-2-12-11-13-8-9(16-11)10(15)14-6-4-3-5-7-14/h8H,2-7H2,1H3,(H,12,13)
InChIKeyIRGIHEBWQVNLTE-UHFFFAOYSA-N
XLogP2.20
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(ethylamino)-1,3-thiazol-5-yl]-piperidin-1-ylmethanone?
The IUPAC name of [2-(ethylamino)-1,3-thiazol-5-yl]-piperidin-1-ylmethanone (CID 97236851) is [2-(ethylamino)-1,3-thiazol-5-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [2-(ethylamino)-1,3-thiazol-5-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [2-(ethylamino)-1,3-thiazol-5-yl]-piperidin-1-ylmethanone is CCNc1ncc(C(=O)N2CCCCC2)s1.
What is the InChIKey of [2-(ethylamino)-1,3-thiazol-5-yl]-piperidin-1-ylmethanone?
The InChIKey is IRGIHEBWQVNLTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS/c1-2-12-11-13-8-9(16-11)10(15)14-6-4-3-5-7-14/h8H,2-7H2,1H3,(H,12,13).
What are the key properties of [2-(ethylamino)-1,3-thiazol-5-yl]-piperidin-1-ylmethanone?
[2-(ethylamino)-1,3-thiazol-5-yl]-piperidin-1-ylmethanone has a molecular weight of 239.34 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(ethylamino)-1,3-thiazol-5-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 97236851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).