2,2-dimethyl-1-(2-phenyl-1,3-thiazolidin-3-yl)propan-1-one

C14H19NOS — CID 155524881

IUPAC2,2-dimethyl-1-(2-phenyl-1,3-thiazolidin-3-yl)propan-1-one
SMILESCC(C)(C)C(=O)N1CCSC1c1ccccc1
InChIInChI=1S/C14H19NOS/c1-14(2,3)13(16)15-9-10-17-12(15)11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3
InChIKeyXSCNYCNANXCOJK-UHFFFAOYSA-N
MW249.38 g/mol
LogP3.31
Rot. Bonds1

About 2,2-dimethyl-1-(2-phenyl-1,3-thiazolidin-3-yl)propan-1-one

2,2-dimethyl-1-(2-phenyl-1,3-thiazolidin-3-yl)propan-1-one (PubChem CID 155524881) has the molecular formula C14H19NOS and a molecular weight of 249.38 g/mol. Its IUPAC name is 2,2-dimethyl-1-(2-phenyl-1,3-thiazolidin-3-yl)propan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-1-(2-phenyl-1,3-thiazolidin-3-yl)propan-1-one
PubChem CID155524881
Molecular FormulaC14H19NOS
Molecular Weight249.38 g/mol
Exact Mass249.12
IUPAC Name2,2-dimethyl-1-(2-phenyl-1,3-thiazolidin-3-yl)propan-1-one
SMILESCC(C)(C)C(=O)N1CCSC1c1ccccc1
InChIInChI=1S/C14H19NOS/c1-14(2,3)13(16)15-9-10-17-12(15)11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3
InChIKeyXSCNYCNANXCOJK-UHFFFAOYSA-N
XLogP3.31
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-(2-phenyl-1,3-thiazolidin-3-yl)propan-1-one?
The IUPAC name of 2,2-dimethyl-1-(2-phenyl-1,3-thiazolidin-3-yl)propan-1-one (CID 155524881) is 2,2-dimethyl-1-(2-phenyl-1,3-thiazolidin-3-yl)propan-1-one.
What is the SMILES notation for 2,2-dimethyl-1-(2-phenyl-1,3-thiazolidin-3-yl)propan-1-one?
The canonical SMILES for 2,2-dimethyl-1-(2-phenyl-1,3-thiazolidin-3-yl)propan-1-one is CC(C)(C)C(=O)N1CCSC1c1ccccc1.
What is the InChIKey of 2,2-dimethyl-1-(2-phenyl-1,3-thiazolidin-3-yl)propan-1-one?
The InChIKey is XSCNYCNANXCOJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NOS/c1-14(2,3)13(16)15-9-10-17-12(15)11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3.
What are the key properties of 2,2-dimethyl-1-(2-phenyl-1,3-thiazolidin-3-yl)propan-1-one?
2,2-dimethyl-1-(2-phenyl-1,3-thiazolidin-3-yl)propan-1-one has a molecular weight of 249.38 g/mol, XLogP of 3.31, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-(2-phenyl-1,3-thiazolidin-3-yl)propan-1-one is sourced from PubChem (CID 155524881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).