3-(5-methyl-1,3-thiazol-2-yl)-2-thiophen-2-yl-1,3-thiazolidin-4-one

C11H10N2OS3 — CID 11842526

IUPAC3-(5-methyl-1,3-thiazol-2-yl)-2-thiophen-2-yl-1,3-thiazolidin-4-one
SMILESCc1cnc(N2C(=O)CSC2c2cccs2)s1
InChIInChI=1S/C11H10N2OS3/c1-7-5-12-11(17-7)13-9(14)6-16-10(13)8-3-2-4-15-8/h2-5,10H,6H2,1H3
InChIKeyZTIBUHOEZJLNIT-UHFFFAOYSA-N
MW282.42 g/mol
LogP3.29
Rot. Bonds2

About 3-(5-methyl-1,3-thiazol-2-yl)-2-thiophen-2-yl-1,3-thiazolidin-4-one

3-(5-methyl-1,3-thiazol-2-yl)-2-thiophen-2-yl-1,3-thiazolidin-4-one (PubChem CID 11842526) has the molecular formula C11H10N2OS3 and a molecular weight of 282.42 g/mol. Its IUPAC name is 3-(5-methyl-1,3-thiazol-2-yl)-2-thiophen-2-yl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-(5-methyl-1,3-thiazol-2-yl)-2-thiophen-2-yl-1,3-thiazolidin-4-one
PubChem CID11842526
Molecular FormulaC11H10N2OS3
Molecular Weight282.42 g/mol
Exact Mass282.00
IUPAC Name3-(5-methyl-1,3-thiazol-2-yl)-2-thiophen-2-yl-1,3-thiazolidin-4-one
SMILESCc1cnc(N2C(=O)CSC2c2cccs2)s1
InChIInChI=1S/C11H10N2OS3/c1-7-5-12-11(17-7)13-9(14)6-16-10(13)8-3-2-4-15-8/h2-5,10H,6H2,1H3
InChIKeyZTIBUHOEZJLNIT-UHFFFAOYSA-N
XLogP3.29
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.42
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(5-methyl-1,3-thiazol-2-yl)-2-thiophen-2-yl-1,3-thiazolidin-4-one?
The IUPAC name of 3-(5-methyl-1,3-thiazol-2-yl)-2-thiophen-2-yl-1,3-thiazolidin-4-one (CID 11842526) is 3-(5-methyl-1,3-thiazol-2-yl)-2-thiophen-2-yl-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-(5-methyl-1,3-thiazol-2-yl)-2-thiophen-2-yl-1,3-thiazolidin-4-one?
The canonical SMILES for 3-(5-methyl-1,3-thiazol-2-yl)-2-thiophen-2-yl-1,3-thiazolidin-4-one is Cc1cnc(N2C(=O)CSC2c2cccs2)s1.
What is the InChIKey of 3-(5-methyl-1,3-thiazol-2-yl)-2-thiophen-2-yl-1,3-thiazolidin-4-one?
The InChIKey is ZTIBUHOEZJLNIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2OS3/c1-7-5-12-11(17-7)13-9(14)6-16-10(13)8-3-2-4-15-8/h2-5,10H,6H2,1H3.
What are the key properties of 3-(5-methyl-1,3-thiazol-2-yl)-2-thiophen-2-yl-1,3-thiazolidin-4-one?
3-(5-methyl-1,3-thiazol-2-yl)-2-thiophen-2-yl-1,3-thiazolidin-4-one has a molecular weight of 282.42 g/mol, XLogP of 3.29, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methyl-1,3-thiazol-2-yl)-2-thiophen-2-yl-1,3-thiazolidin-4-one is sourced from PubChem (CID 11842526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).