2-[2-(furan-3-yl)-1,3-thiazol-4-yl]-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]ethanone

C14H16N2O3S — CID 91649876

IUPAC2-[2-(furan-3-yl)-1,3-thiazol-4-yl]-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]ethanone
SMILESO=C(Cc1csc(-c2ccoc2)n1)N1CCC[C@H]1CO
InChIInChI=1S/C14H16N2O3S/c17-7-12-2-1-4-16(12)13(18)6-11-9-20-14(15-11)10-3-5-19-8-10/h3,5,8-9,12,17H,1-2,4,6-7H2/t12-/m0/s1
InChIKeyZDVZWVSDJYERDX-LBPRGKRZSA-N
MW292.36 g/mol
LogP1.93
Rot. Bonds4

About 2-[2-(furan-3-yl)-1,3-thiazol-4-yl]-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]ethanone

2-[2-(furan-3-yl)-1,3-thiazol-4-yl]-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]ethanone (PubChem CID 91649876) has the molecular formula C14H16N2O3S and a molecular weight of 292.36 g/mol. Its IUPAC name is 2-[2-(furan-3-yl)-1,3-thiazol-4-yl]-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-[2-(furan-3-yl)-1,3-thiazol-4-yl]-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]ethanone
PubChem CID91649876
Molecular FormulaC14H16N2O3S
Molecular Weight292.36 g/mol
Exact Mass292.09
IUPAC Name2-[2-(furan-3-yl)-1,3-thiazol-4-yl]-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]ethanone
SMILESO=C(Cc1csc(-c2ccoc2)n1)N1CCC[C@H]1CO
InChIInChI=1S/C14H16N2O3S/c17-7-12-2-1-4-16(12)13(18)6-11-9-20-14(15-11)10-3-5-19-8-10/h3,5,8-9,12,17H,1-2,4,6-7H2/t12-/m0/s1
InChIKeyZDVZWVSDJYERDX-LBPRGKRZSA-N
XLogP1.93
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(furan-3-yl)-1,3-thiazol-4-yl]-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-[2-(furan-3-yl)-1,3-thiazol-4-yl]-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]ethanone (CID 91649876) is 2-[2-(furan-3-yl)-1,3-thiazol-4-yl]-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-[2-(furan-3-yl)-1,3-thiazol-4-yl]-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-[2-(furan-3-yl)-1,3-thiazol-4-yl]-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]ethanone is O=C(Cc1csc(-c2ccoc2)n1)N1CCC[C@H]1CO.
What is the InChIKey of 2-[2-(furan-3-yl)-1,3-thiazol-4-yl]-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]ethanone?
The InChIKey is ZDVZWVSDJYERDX-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H16N2O3S/c17-7-12-2-1-4-16(12)13(18)6-11-9-20-14(15-11)10-3-5-19-8-10/h3,5,8-9,12,17H,1-2,4,6-7H2/t12-/m0/s1.
What are the key properties of 2-[2-(furan-3-yl)-1,3-thiazol-4-yl]-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]ethanone?
2-[2-(furan-3-yl)-1,3-thiazol-4-yl]-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]ethanone has a molecular weight of 292.36 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(furan-3-yl)-1,3-thiazol-4-yl]-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 91649876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).