1-(2-propan-2-ylidene-1,3-thiazolidin-3-yl)ethanone

C8H13NOS — CID 58322130

IUPAC1-(2-propan-2-ylidene-1,3-thiazolidin-3-yl)ethanone
SMILESCC(=O)N1CCSC1=C(C)C
InChIInChI=1S/C8H13NOS/c1-6(2)8-9(7(3)10)4-5-11-8/h4-5H2,1-3H3
InChIKeyFWZLJCJUHPTCRZ-UHFFFAOYSA-N
MW171.26 g/mol
LogP1.83
Rot. Bonds

About 1-(2-propan-2-ylidene-1,3-thiazolidin-3-yl)ethanone

1-(2-propan-2-ylidene-1,3-thiazolidin-3-yl)ethanone (PubChem CID 58322130) has the molecular formula C8H13NOS and a molecular weight of 171.26 g/mol. Its IUPAC name is 1-(2-propan-2-ylidene-1,3-thiazolidin-3-yl)ethanone.

Molecular Properties

Compound Name1-(2-propan-2-ylidene-1,3-thiazolidin-3-yl)ethanone
PubChem CID58322130
Molecular FormulaC8H13NOS
Molecular Weight171.26 g/mol
Exact Mass171.07
IUPAC Name1-(2-propan-2-ylidene-1,3-thiazolidin-3-yl)ethanone
SMILESCC(=O)N1CCSC1=C(C)C
InChIInChI=1S/C8H13NOS/c1-6(2)8-9(7(3)10)4-5-11-8/h4-5H2,1-3H3
InChIKeyFWZLJCJUHPTCRZ-UHFFFAOYSA-N
XLogP1.83
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.26
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-propan-2-ylidene-1,3-thiazolidin-3-yl)ethanone?
The IUPAC name of 1-(2-propan-2-ylidene-1,3-thiazolidin-3-yl)ethanone (CID 58322130) is 1-(2-propan-2-ylidene-1,3-thiazolidin-3-yl)ethanone.
What is the SMILES notation for 1-(2-propan-2-ylidene-1,3-thiazolidin-3-yl)ethanone?
The canonical SMILES for 1-(2-propan-2-ylidene-1,3-thiazolidin-3-yl)ethanone is CC(=O)N1CCSC1=C(C)C.
What is the InChIKey of 1-(2-propan-2-ylidene-1,3-thiazolidin-3-yl)ethanone?
The InChIKey is FWZLJCJUHPTCRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NOS/c1-6(2)8-9(7(3)10)4-5-11-8/h4-5H2,1-3H3.
What are the key properties of 1-(2-propan-2-ylidene-1,3-thiazolidin-3-yl)ethanone?
1-(2-propan-2-ylidene-1,3-thiazolidin-3-yl)ethanone has a molecular weight of 171.26 g/mol, XLogP of 1.83, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-propan-2-ylidene-1,3-thiazolidin-3-yl)ethanone is sourced from PubChem (CID 58322130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).