4-[[1-(1-ethylpiperidin-4-yl)ethylamino]methyl]-3H-1,3-thiazol-2-one

C13H23N3OS — CID 106379682

IUPAC4-[[1-(1-ethylpiperidin-4-yl)ethylamino]methyl]-3H-1,3-thiazol-2-one
SMILESCCN1CCC(C(C)NCc2csc(=O)[nH]2)CC1
InChIInChI=1S/C13H23N3OS/c1-3-16-6-4-11(5-7-16)10(2)14-8-12-9-18-13(17)15-12/h9-11,14H,3-8H2,1-2H3,(H,15,17)
InChIKeyFXJMHRVQMHBCLG-UHFFFAOYSA-N
MW269.41 g/mol
LogP1.65
Rot. Bonds5

About 4-[[1-(1-ethylpiperidin-4-yl)ethylamino]methyl]-3H-1,3-thiazol-2-one

4-[[1-(1-ethylpiperidin-4-yl)ethylamino]methyl]-3H-1,3-thiazol-2-one (PubChem CID 106379682) has the molecular formula C13H23N3OS and a molecular weight of 269.41 g/mol. Its IUPAC name is 4-[[1-(1-ethylpiperidin-4-yl)ethylamino]methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[[1-(1-ethylpiperidin-4-yl)ethylamino]methyl]-3H-1,3-thiazol-2-one
PubChem CID106379682
Molecular FormulaC13H23N3OS
Molecular Weight269.41 g/mol
Exact Mass269.16
IUPAC Name4-[[1-(1-ethylpiperidin-4-yl)ethylamino]methyl]-3H-1,3-thiazol-2-one
SMILESCCN1CCC(C(C)NCc2csc(=O)[nH]2)CC1
InChIInChI=1S/C13H23N3OS/c1-3-16-6-4-11(5-7-16)10(2)14-8-12-9-18-13(17)15-12/h9-11,14H,3-8H2,1-2H3,(H,15,17)
InChIKeyFXJMHRVQMHBCLG-UHFFFAOYSA-N
XLogP1.65
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[1-(1-ethylpiperidin-4-yl)ethylamino]methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[[1-(1-ethylpiperidin-4-yl)ethylamino]methyl]-3H-1,3-thiazol-2-one (CID 106379682) is 4-[[1-(1-ethylpiperidin-4-yl)ethylamino]methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[[1-(1-ethylpiperidin-4-yl)ethylamino]methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[[1-(1-ethylpiperidin-4-yl)ethylamino]methyl]-3H-1,3-thiazol-2-one is CCN1CCC(C(C)NCc2csc(=O)[nH]2)CC1.
What is the InChIKey of 4-[[1-(1-ethylpiperidin-4-yl)ethylamino]methyl]-3H-1,3-thiazol-2-one?
The InChIKey is FXJMHRVQMHBCLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3OS/c1-3-16-6-4-11(5-7-16)10(2)14-8-12-9-18-13(17)15-12/h9-11,14H,3-8H2,1-2H3,(H,15,17).
What are the key properties of 4-[[1-(1-ethylpiperidin-4-yl)ethylamino]methyl]-3H-1,3-thiazol-2-one?
4-[[1-(1-ethylpiperidin-4-yl)ethylamino]methyl]-3H-1,3-thiazol-2-one has a molecular weight of 269.41 g/mol, XLogP of 1.65, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(1-ethylpiperidin-4-yl)ethylamino]methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 106379682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).