2-methylidene-3-propan-2-yl-1,3-thiazolidin-4-one

C7H11NOS — CID 145121125

IUPAC2-methylidene-3-propan-2-yl-1,3-thiazolidin-4-one
SMILESC=C1SCC(=O)N1C(C)C
InChIInChI=1S/C7H11NOS/c1-5(2)8-6(3)10-4-7(8)9/h5H,3-4H2,1-2H3
InChIKeyLWXDDKCWFBKAIM-UHFFFAOYSA-N
MW157.24 g/mol
LogP1.44
Rot. Bonds1

About 2-methylidene-3-propan-2-yl-1,3-thiazolidin-4-one

2-methylidene-3-propan-2-yl-1,3-thiazolidin-4-one (PubChem CID 145121125) has the molecular formula C7H11NOS and a molecular weight of 157.24 g/mol. Its IUPAC name is 2-methylidene-3-propan-2-yl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-methylidene-3-propan-2-yl-1,3-thiazolidin-4-one
PubChem CID145121125
Molecular FormulaC7H11NOS
Molecular Weight157.24 g/mol
Exact Mass157.06
IUPAC Name2-methylidene-3-propan-2-yl-1,3-thiazolidin-4-one
SMILESC=C1SCC(=O)N1C(C)C
InChIInChI=1S/C7H11NOS/c1-5(2)8-6(3)10-4-7(8)9/h5H,3-4H2,1-2H3
InChIKeyLWXDDKCWFBKAIM-UHFFFAOYSA-N
XLogP1.44
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.24
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methylidene-3-propan-2-yl-1,3-thiazolidin-4-one?
The IUPAC name of 2-methylidene-3-propan-2-yl-1,3-thiazolidin-4-one (CID 145121125) is 2-methylidene-3-propan-2-yl-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-methylidene-3-propan-2-yl-1,3-thiazolidin-4-one?
The canonical SMILES for 2-methylidene-3-propan-2-yl-1,3-thiazolidin-4-one is C=C1SCC(=O)N1C(C)C.
What is the InChIKey of 2-methylidene-3-propan-2-yl-1,3-thiazolidin-4-one?
The InChIKey is LWXDDKCWFBKAIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NOS/c1-5(2)8-6(3)10-4-7(8)9/h5H,3-4H2,1-2H3.
What are the key properties of 2-methylidene-3-propan-2-yl-1,3-thiazolidin-4-one?
2-methylidene-3-propan-2-yl-1,3-thiazolidin-4-one has a molecular weight of 157.24 g/mol, XLogP of 1.44, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-3-propan-2-yl-1,3-thiazolidin-4-one is sourced from PubChem (CID 145121125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).