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

C10H13NOS2 — CID 3551078

IUPAC3-propan-2-yl-2-thiophen-2-yl-1,3-thiazolidin-4-one
SMILESCC(C)N1C(=O)CSC1c1cccs1
InChIInChI=1S/C10H13NOS2/c1-7(2)11-9(12)6-14-10(11)8-4-3-5-13-8/h3-5,7,10H,6H2,1-2H3
InChIKeyLTODYDYHMWWOCY-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.73
Rot. Bonds2

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

3-propan-2-yl-2-thiophen-2-yl-1,3-thiazolidin-4-one (PubChem CID 3551078) has the molecular formula C10H13NOS2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 3-propan-2-yl-2-thiophen-2-yl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-propan-2-yl-2-thiophen-2-yl-1,3-thiazolidin-4-one
PubChem CID3551078
Molecular FormulaC10H13NOS2
Molecular Weight227.35 g/mol
Exact Mass227.04
IUPAC Name3-propan-2-yl-2-thiophen-2-yl-1,3-thiazolidin-4-one
SMILESCC(C)N1C(=O)CSC1c1cccs1
InChIInChI=1S/C10H13NOS2/c1-7(2)11-9(12)6-14-10(11)8-4-3-5-13-8/h3-5,7,10H,6H2,1-2H3
InChIKeyLTODYDYHMWWOCY-UHFFFAOYSA-N
XLogP2.73
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 30617
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CID 4962388
N,2,2-trimethyl-N-(thiophen-2-ylmethyl)butanamide
CID 121446738
2-Sulfanylidene-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-4-one
CID 233540
Cyto9G3
CID 2732031
(E)-1-pyrrolidin-1-yl-3-thiophen-2-ylprop-2-en-1-one
CID 2311880
N,N-dimethyl-5-oxo-1-(2-thienylmethyl)-2-pyrrolidinecarboxamide
CID 3811771
1-(Thiophene-2-carbonyl)pyrrolidine
CID 825289
2-chloro-N-methyl-N-(thien-2-ylmethyl)acetamide
CID 2543182
Pyrrolidin-1-yl(thiophen-2-yl)methanethione
CID 672352
Icosa-5,8,11,14-tetraenoic acid bis-thiophen-2-ylmethyl-amide
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CID 3240804

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-2-thiophen-2-yl-1,3-thiazolidin-4-one?
The IUPAC name of 3-propan-2-yl-2-thiophen-2-yl-1,3-thiazolidin-4-one (CID 3551078) is 3-propan-2-yl-2-thiophen-2-yl-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-propan-2-yl-2-thiophen-2-yl-1,3-thiazolidin-4-one?
The canonical SMILES for 3-propan-2-yl-2-thiophen-2-yl-1,3-thiazolidin-4-one is CC(C)N1C(=O)CSC1c1cccs1.
What is the InChIKey of 3-propan-2-yl-2-thiophen-2-yl-1,3-thiazolidin-4-one?
The InChIKey is LTODYDYHMWWOCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NOS2/c1-7(2)11-9(12)6-14-10(11)8-4-3-5-13-8/h3-5,7,10H,6H2,1-2H3.
What are the key properties of 3-propan-2-yl-2-thiophen-2-yl-1,3-thiazolidin-4-one?
3-propan-2-yl-2-thiophen-2-yl-1,3-thiazolidin-4-one has a molecular weight of 227.35 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-2-thiophen-2-yl-1,3-thiazolidin-4-one is sourced from PubChem (CID 3551078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).