2,3,3-trimethyl-1-(1,3-thiazolidin-3-yl)butan-1-one

C10H19NOS — CID 58364454

IUPAC2,3,3-trimethyl-1-(1,3-thiazolidin-3-yl)butan-1-one
SMILESCC(C(=O)N1CCSC1)C(C)(C)C
InChIInChI=1S/C10H19NOS/c1-8(10(2,3)4)9(12)11-5-6-13-7-11/h8H,5-7H2,1-4H3
InChIKeyBMWGKFRQEKZYGV-UHFFFAOYSA-N
MW201.33 g/mol
LogP2.20
Rot. Bonds1

About 2,3,3-trimethyl-1-(1,3-thiazolidin-3-yl)butan-1-one

2,3,3-trimethyl-1-(1,3-thiazolidin-3-yl)butan-1-one (PubChem CID 58364454) has the molecular formula C10H19NOS and a molecular weight of 201.33 g/mol. Its IUPAC name is 2,3,3-trimethyl-1-(1,3-thiazolidin-3-yl)butan-1-one.

Molecular Properties

Compound Name2,3,3-trimethyl-1-(1,3-thiazolidin-3-yl)butan-1-one
PubChem CID58364454
Molecular FormulaC10H19NOS
Molecular Weight201.33 g/mol
Exact Mass201.12
IUPAC Name2,3,3-trimethyl-1-(1,3-thiazolidin-3-yl)butan-1-one
SMILESCC(C(=O)N1CCSC1)C(C)(C)C
InChIInChI=1S/C10H19NOS/c1-8(10(2,3)4)9(12)11-5-6-13-7-11/h8H,5-7H2,1-4H3
InChIKeyBMWGKFRQEKZYGV-UHFFFAOYSA-N
XLogP2.20
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.33
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3,3-trimethyl-1-(1,3-thiazolidin-3-yl)butan-1-one?
The IUPAC name of 2,3,3-trimethyl-1-(1,3-thiazolidin-3-yl)butan-1-one (CID 58364454) is 2,3,3-trimethyl-1-(1,3-thiazolidin-3-yl)butan-1-one.
What is the SMILES notation for 2,3,3-trimethyl-1-(1,3-thiazolidin-3-yl)butan-1-one?
The canonical SMILES for 2,3,3-trimethyl-1-(1,3-thiazolidin-3-yl)butan-1-one is CC(C(=O)N1CCSC1)C(C)(C)C.
What is the InChIKey of 2,3,3-trimethyl-1-(1,3-thiazolidin-3-yl)butan-1-one?
The InChIKey is BMWGKFRQEKZYGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NOS/c1-8(10(2,3)4)9(12)11-5-6-13-7-11/h8H,5-7H2,1-4H3.
What are the key properties of 2,3,3-trimethyl-1-(1,3-thiazolidin-3-yl)butan-1-one?
2,3,3-trimethyl-1-(1,3-thiazolidin-3-yl)butan-1-one has a molecular weight of 201.33 g/mol, XLogP of 2.20, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3-trimethyl-1-(1,3-thiazolidin-3-yl)butan-1-one is sourced from PubChem (CID 58364454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).