2-methyl-1-(2-methylidene-1,3-thiazolidin-4-yl)propan-1-one

C8H13NOS — CID 130265533

IUPAC2-methyl-1-(2-methylidene-1,3-thiazolidin-4-yl)propan-1-one
SMILESC=C1NC(C(=O)C(C)C)CS1
InChIInChI=1S/C8H13NOS/c1-5(2)8(10)7-4-11-6(3)9-7/h5,7,9H,3-4H2,1-2H3
InChIKeyVSRNRBBDNQRERA-UHFFFAOYSA-N
MW171.26 g/mol
LogP1.39
Rot. Bonds2

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

2-methyl-1-(2-methylidene-1,3-thiazolidin-4-yl)propan-1-one (PubChem CID 130265533) has the molecular formula C8H13NOS and a molecular weight of 171.26 g/mol. Its IUPAC name is 2-methyl-1-(2-methylidene-1,3-thiazolidin-4-yl)propan-1-one.

Molecular Properties

Compound Name2-methyl-1-(2-methylidene-1,3-thiazolidin-4-yl)propan-1-one
PubChem CID130265533
Molecular FormulaC8H13NOS
Molecular Weight171.26 g/mol
Exact Mass171.07
IUPAC Name2-methyl-1-(2-methylidene-1,3-thiazolidin-4-yl)propan-1-one
SMILESC=C1NC(C(=O)C(C)C)CS1
InChIInChI=1S/C8H13NOS/c1-5(2)8(10)7-4-11-6(3)9-7/h5,7,9H,3-4H2,1-2H3
InChIKeyVSRNRBBDNQRERA-UHFFFAOYSA-N
XLogP1.39
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.26
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-methylidene-1,3-thiazolidin-4-yl)propan-1-one?
The IUPAC name of 2-methyl-1-(2-methylidene-1,3-thiazolidin-4-yl)propan-1-one (CID 130265533) is 2-methyl-1-(2-methylidene-1,3-thiazolidin-4-yl)propan-1-one.
What is the SMILES notation for 2-methyl-1-(2-methylidene-1,3-thiazolidin-4-yl)propan-1-one?
The canonical SMILES for 2-methyl-1-(2-methylidene-1,3-thiazolidin-4-yl)propan-1-one is C=C1NC(C(=O)C(C)C)CS1.
What is the InChIKey of 2-methyl-1-(2-methylidene-1,3-thiazolidin-4-yl)propan-1-one?
The InChIKey is VSRNRBBDNQRERA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NOS/c1-5(2)8(10)7-4-11-6(3)9-7/h5,7,9H,3-4H2,1-2H3.
What are the key properties of 2-methyl-1-(2-methylidene-1,3-thiazolidin-4-yl)propan-1-one?
2-methyl-1-(2-methylidene-1,3-thiazolidin-4-yl)propan-1-one has a molecular weight of 171.26 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-methylidene-1,3-thiazolidin-4-yl)propan-1-one is sourced from PubChem (CID 130265533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).