1-(2,2-diethyl-1,3-thiazolidin-3-yl)ethanone

C9H17NOS — CID 110192132

IUPAC1-(2,2-diethyl-1,3-thiazolidin-3-yl)ethanone
SMILESCCC1(CC)SCCN1C(C)=O
InChIInChI=1S/C9H17NOS/c1-4-9(5-2)10(8(3)11)6-7-12-9/h4-7H2,1-3H3
InChIKeyVRAKUDUFOSFHGR-UHFFFAOYSA-N
MW187.31 g/mol
LogP2.10
Rot. Bonds2

About 1-(2,2-diethyl-1,3-thiazolidin-3-yl)ethanone

1-(2,2-diethyl-1,3-thiazolidin-3-yl)ethanone (PubChem CID 110192132) has the molecular formula C9H17NOS and a molecular weight of 187.31 g/mol. Its IUPAC name is 1-(2,2-diethyl-1,3-thiazolidin-3-yl)ethanone.

Molecular Properties

Compound Name1-(2,2-diethyl-1,3-thiazolidin-3-yl)ethanone
PubChem CID110192132
Molecular FormulaC9H17NOS
Molecular Weight187.31 g/mol
Exact Mass187.10
IUPAC Name1-(2,2-diethyl-1,3-thiazolidin-3-yl)ethanone
SMILESCCC1(CC)SCCN1C(C)=O
InChIInChI=1S/C9H17NOS/c1-4-9(5-2)10(8(3)11)6-7-12-9/h4-7H2,1-3H3
InChIKeyVRAKUDUFOSFHGR-UHFFFAOYSA-N
XLogP2.10
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.31
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-diethyl-1,3-thiazolidin-3-yl)ethanone?
The IUPAC name of 1-(2,2-diethyl-1,3-thiazolidin-3-yl)ethanone (CID 110192132) is 1-(2,2-diethyl-1,3-thiazolidin-3-yl)ethanone.
What is the SMILES notation for 1-(2,2-diethyl-1,3-thiazolidin-3-yl)ethanone?
The canonical SMILES for 1-(2,2-diethyl-1,3-thiazolidin-3-yl)ethanone is CCC1(CC)SCCN1C(C)=O.
What is the InChIKey of 1-(2,2-diethyl-1,3-thiazolidin-3-yl)ethanone?
The InChIKey is VRAKUDUFOSFHGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NOS/c1-4-9(5-2)10(8(3)11)6-7-12-9/h4-7H2,1-3H3.
What are the key properties of 1-(2,2-diethyl-1,3-thiazolidin-3-yl)ethanone?
1-(2,2-diethyl-1,3-thiazolidin-3-yl)ethanone has a molecular weight of 187.31 g/mol, XLogP of 2.10, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-diethyl-1,3-thiazolidin-3-yl)ethanone is sourced from PubChem (CID 110192132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).