1-[1-[5-[3-(dimethylamino)phenyl]-1,3-thiazol-2-yl]piperidin-4-yl]ethanone

C18H23N3OS — CID 46907755

IUPAC1-[1-[5-[3-(dimethylamino)phenyl]-1,3-thiazol-2-yl]piperidin-4-yl]ethanone
SMILESCC(=O)C1CCN(c2ncc(-c3cccc(N(C)C)c3)s2)CC1
InChIInChI=1S/C18H23N3OS/c1-13(22)14-7-9-21(10-8-14)18-19-12-17(23-18)15-5-4-6-16(11-15)20(2)3/h4-6,11-12,14H,7-10H2,1-3H3
InChIKeyDBUJRUZHAMNUJN-UHFFFAOYSA-N
MW329.47 g/mol
LogP3.68
Rot. Bonds4

About 1-[1-[5-[3-(dimethylamino)phenyl]-1,3-thiazol-2-yl]piperidin-4-yl]ethanone

1-[1-[5-[3-(dimethylamino)phenyl]-1,3-thiazol-2-yl]piperidin-4-yl]ethanone (PubChem CID 46907755) has the molecular formula C18H23N3OS and a molecular weight of 329.47 g/mol. Its IUPAC name is 1-[1-[5-[3-(dimethylamino)phenyl]-1,3-thiazol-2-yl]piperidin-4-yl]ethanone.

Molecular Properties

Compound Name1-[1-[5-[3-(dimethylamino)phenyl]-1,3-thiazol-2-yl]piperidin-4-yl]ethanone
PubChem CID46907755
Molecular FormulaC18H23N3OS
Molecular Weight329.47 g/mol
Exact Mass329.16
IUPAC Name1-[1-[5-[3-(dimethylamino)phenyl]-1,3-thiazol-2-yl]piperidin-4-yl]ethanone
SMILESCC(=O)C1CCN(c2ncc(-c3cccc(N(C)C)c3)s2)CC1
InChIInChI=1S/C18H23N3OS/c1-13(22)14-7-9-21(10-8-14)18-19-12-17(23-18)15-5-4-6-16(11-15)20(2)3/h4-6,11-12,14H,7-10H2,1-3H3
InChIKeyDBUJRUZHAMNUJN-UHFFFAOYSA-N
XLogP3.68
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[5-[3-(dimethylamino)phenyl]-1,3-thiazol-2-yl]piperidin-4-yl]ethanone?
The IUPAC name of 1-[1-[5-[3-(dimethylamino)phenyl]-1,3-thiazol-2-yl]piperidin-4-yl]ethanone (CID 46907755) is 1-[1-[5-[3-(dimethylamino)phenyl]-1,3-thiazol-2-yl]piperidin-4-yl]ethanone.
What is the SMILES notation for 1-[1-[5-[3-(dimethylamino)phenyl]-1,3-thiazol-2-yl]piperidin-4-yl]ethanone?
The canonical SMILES for 1-[1-[5-[3-(dimethylamino)phenyl]-1,3-thiazol-2-yl]piperidin-4-yl]ethanone is CC(=O)C1CCN(c2ncc(-c3cccc(N(C)C)c3)s2)CC1.
What is the InChIKey of 1-[1-[5-[3-(dimethylamino)phenyl]-1,3-thiazol-2-yl]piperidin-4-yl]ethanone?
The InChIKey is DBUJRUZHAMNUJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3OS/c1-13(22)14-7-9-21(10-8-14)18-19-12-17(23-18)15-5-4-6-16(11-15)20(2)3/h4-6,11-12,14H,7-10H2,1-3H3.
What are the key properties of 1-[1-[5-[3-(dimethylamino)phenyl]-1,3-thiazol-2-yl]piperidin-4-yl]ethanone?
1-[1-[5-[3-(dimethylamino)phenyl]-1,3-thiazol-2-yl]piperidin-4-yl]ethanone has a molecular weight of 329.47 g/mol, XLogP of 3.68, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[5-[3-(dimethylamino)phenyl]-1,3-thiazol-2-yl]piperidin-4-yl]ethanone is sourced from PubChem (CID 46907755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).