2-(2-ethyl-1,3-thiazol-4-yl)-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethanone

C17H25N3O2S — CID 56819149

IUPAC2-(2-ethyl-1,3-thiazol-4-yl)-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethanone
SMILESCCc1nc(CC(=O)N2CCC(C(=O)N3CCCC3)CC2)cs1
InChIInChI=1S/C17H25N3O2S/c1-2-15-18-14(12-23-15)11-16(21)19-9-5-13(6-10-19)17(22)20-7-3-4-8-20/h12-13H,2-11H2,1H3
InChIKeyLYTLGNUHCIAKAL-UHFFFAOYSA-N
MW335.47 g/mol
LogP2.11
Rot. Bonds4

About 2-(2-ethyl-1,3-thiazol-4-yl)-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethanone

2-(2-ethyl-1,3-thiazol-4-yl)-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethanone (PubChem CID 56819149) has the molecular formula C17H25N3O2S and a molecular weight of 335.47 g/mol. Its IUPAC name is 2-(2-ethyl-1,3-thiazol-4-yl)-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-ethyl-1,3-thiazol-4-yl)-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethanone
PubChem CID56819149
Molecular FormulaC17H25N3O2S
Molecular Weight335.47 g/mol
Exact Mass335.17
IUPAC Name2-(2-ethyl-1,3-thiazol-4-yl)-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethanone
SMILESCCc1nc(CC(=O)N2CCC(C(=O)N3CCCC3)CC2)cs1
InChIInChI=1S/C17H25N3O2S/c1-2-15-18-14(12-23-15)11-16(21)19-9-5-13(6-10-19)17(22)20-7-3-4-8-20/h12-13H,2-11H2,1H3
InChIKeyLYTLGNUHCIAKAL-UHFFFAOYSA-N
XLogP2.11
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.47
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-1,3-thiazol-4-yl)-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(2-ethyl-1,3-thiazol-4-yl)-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethanone (CID 56819149) is 2-(2-ethyl-1,3-thiazol-4-yl)-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(2-ethyl-1,3-thiazol-4-yl)-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(2-ethyl-1,3-thiazol-4-yl)-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethanone is CCc1nc(CC(=O)N2CCC(C(=O)N3CCCC3)CC2)cs1.
What is the InChIKey of 2-(2-ethyl-1,3-thiazol-4-yl)-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethanone?
The InChIKey is LYTLGNUHCIAKAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2S/c1-2-15-18-14(12-23-15)11-16(21)19-9-5-13(6-10-19)17(22)20-7-3-4-8-20/h12-13H,2-11H2,1H3.
What are the key properties of 2-(2-ethyl-1,3-thiazol-4-yl)-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethanone?
2-(2-ethyl-1,3-thiazol-4-yl)-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethanone has a molecular weight of 335.47 g/mol, XLogP of 2.11, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-1,3-thiazol-4-yl)-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 56819149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).