1-[4-tert-butyl-2-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-5-yl]ethanone

C15H24N2OS — CID 82439543

IUPAC1-[4-tert-butyl-2-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-5-yl]ethanone
SMILESCC(=O)c1sc(CCN2CCCC2)nc1C(C)(C)C
InChIInChI=1S/C15H24N2OS/c1-11(18)13-14(15(2,3)4)16-12(19-13)7-10-17-8-5-6-9-17/h5-10H2,1-4H3
InChIKeyADKWHLSRVSJYQK-UHFFFAOYSA-N
MW280.44 g/mol
LogP3.28
Rot. Bonds4

About 1-[4-tert-butyl-2-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-5-yl]ethanone

1-[4-tert-butyl-2-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-5-yl]ethanone (PubChem CID 82439543) has the molecular formula C15H24N2OS and a molecular weight of 280.44 g/mol. Its IUPAC name is 1-[4-tert-butyl-2-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[4-tert-butyl-2-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-5-yl]ethanone
PubChem CID82439543
Molecular FormulaC15H24N2OS
Molecular Weight280.44 g/mol
Exact Mass280.16
IUPAC Name1-[4-tert-butyl-2-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-5-yl]ethanone
SMILESCC(=O)c1sc(CCN2CCCC2)nc1C(C)(C)C
InChIInChI=1S/C15H24N2OS/c1-11(18)13-14(15(2,3)4)16-12(19-13)7-10-17-8-5-6-9-17/h5-10H2,1-4H3
InChIKeyADKWHLSRVSJYQK-UHFFFAOYSA-N
XLogP3.28
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-tert-butyl-2-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-5-yl]ethanone?
The IUPAC name of 1-[4-tert-butyl-2-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-5-yl]ethanone (CID 82439543) is 1-[4-tert-butyl-2-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-5-yl]ethanone.
What is the SMILES notation for 1-[4-tert-butyl-2-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-5-yl]ethanone?
The canonical SMILES for 1-[4-tert-butyl-2-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-5-yl]ethanone is CC(=O)c1sc(CCN2CCCC2)nc1C(C)(C)C.
What is the InChIKey of 1-[4-tert-butyl-2-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-5-yl]ethanone?
The InChIKey is ADKWHLSRVSJYQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2OS/c1-11(18)13-14(15(2,3)4)16-12(19-13)7-10-17-8-5-6-9-17/h5-10H2,1-4H3.
What are the key properties of 1-[4-tert-butyl-2-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-5-yl]ethanone?
1-[4-tert-butyl-2-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-5-yl]ethanone has a molecular weight of 280.44 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-tert-butyl-2-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-5-yl]ethanone is sourced from PubChem (CID 82439543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).