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

C14H25N3OS — CID 106379683

IUPAC4-[[1-(1-propylpiperidin-3-yl)ethylamino]methyl]-3H-1,3-thiazol-2-one
SMILESCCCN1CCCC(C(C)NCc2csc(=O)[nH]2)C1
InChIInChI=1S/C14H25N3OS/c1-3-6-17-7-4-5-12(9-17)11(2)15-8-13-10-19-14(18)16-13/h10-12,15H,3-9H2,1-2H3,(H,16,18)
InChIKeyFUVXZEOCQHFECE-UHFFFAOYSA-N
MW283.44 g/mol
LogP2.04
Rot. Bonds6

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

4-[[1-(1-propylpiperidin-3-yl)ethylamino]methyl]-3H-1,3-thiazol-2-one (PubChem CID 106379683) has the molecular formula C14H25N3OS and a molecular weight of 283.44 g/mol. Its IUPAC name is 4-[[1-(1-propylpiperidin-3-yl)ethylamino]methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[[1-(1-propylpiperidin-3-yl)ethylamino]methyl]-3H-1,3-thiazol-2-one
PubChem CID106379683
Molecular FormulaC14H25N3OS
Molecular Weight283.44 g/mol
Exact Mass283.17
IUPAC Name4-[[1-(1-propylpiperidin-3-yl)ethylamino]methyl]-3H-1,3-thiazol-2-one
SMILESCCCN1CCCC(C(C)NCc2csc(=O)[nH]2)C1
InChIInChI=1S/C14H25N3OS/c1-3-6-17-7-4-5-12(9-17)11(2)15-8-13-10-19-14(18)16-13/h10-12,15H,3-9H2,1-2H3,(H,16,18)
InChIKeyFUVXZEOCQHFECE-UHFFFAOYSA-N
XLogP2.04
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[1-(1-propylpiperidin-3-yl)ethylamino]methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[[1-(1-propylpiperidin-3-yl)ethylamino]methyl]-3H-1,3-thiazol-2-one (CID 106379683) is 4-[[1-(1-propylpiperidin-3-yl)ethylamino]methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[[1-(1-propylpiperidin-3-yl)ethylamino]methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[[1-(1-propylpiperidin-3-yl)ethylamino]methyl]-3H-1,3-thiazol-2-one is CCCN1CCCC(C(C)NCc2csc(=O)[nH]2)C1.
What is the InChIKey of 4-[[1-(1-propylpiperidin-3-yl)ethylamino]methyl]-3H-1,3-thiazol-2-one?
The InChIKey is FUVXZEOCQHFECE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3OS/c1-3-6-17-7-4-5-12(9-17)11(2)15-8-13-10-19-14(18)16-13/h10-12,15H,3-9H2,1-2H3,(H,16,18).
What are the key properties of 4-[[1-(1-propylpiperidin-3-yl)ethylamino]methyl]-3H-1,3-thiazol-2-one?
4-[[1-(1-propylpiperidin-3-yl)ethylamino]methyl]-3H-1,3-thiazol-2-one has a molecular weight of 283.44 g/mol, XLogP of 2.04, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(1-propylpiperidin-3-yl)ethylamino]methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 106379683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).