3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-(5-methylfuran-2-yl)-1,3-thiazolidin-4-one

C14H13N3O2S2 — CID 2998689

IUPAC3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-(5-methylfuran-2-yl)-1,3-thiazolidin-4-one
SMILESCc1ccc(C2SCC(=O)N2Cc2cn3ccsc3n2)o1
InChIInChI=1S/C14H13N3O2S2/c1-9-2-3-11(19-9)13-17(12(18)8-21-13)7-10-6-16-4-5-20-14(16)15-10/h2-6,13H,7-8H2,1H3
InChIKeyUNLPAAJGKUTHGD-UHFFFAOYSA-N
MW319.41 g/mol
LogP3.07
Rot. Bonds3

About 3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-(5-methylfuran-2-yl)-1,3-thiazolidin-4-one

3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-(5-methylfuran-2-yl)-1,3-thiazolidin-4-one (PubChem CID 2998689) has the molecular formula C14H13N3O2S2 and a molecular weight of 319.41 g/mol. Its IUPAC name is 3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-(5-methylfuran-2-yl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-(5-methylfuran-2-yl)-1,3-thiazolidin-4-one
PubChem CID2998689
Molecular FormulaC14H13N3O2S2
Molecular Weight319.41 g/mol
Exact Mass319.04
IUPAC Name3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-(5-methylfuran-2-yl)-1,3-thiazolidin-4-one
SMILESCc1ccc(C2SCC(=O)N2Cc2cn3ccsc3n2)o1
InChIInChI=1S/C14H13N3O2S2/c1-9-2-3-11(19-9)13-17(12(18)8-21-13)7-10-6-16-4-5-20-14(16)15-10/h2-6,13H,7-8H2,1H3
InChIKeyUNLPAAJGKUTHGD-UHFFFAOYSA-N
XLogP3.07
TPSA50.75 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-(5-methylfuran-2-yl)-1,3-thiazolidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-(5-methylfuran-2-yl)-1,3-thiazolidin-4-one?
The IUPAC name of 3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-(5-methylfuran-2-yl)-1,3-thiazolidin-4-one (CID 2998689) is 3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-(5-methylfuran-2-yl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-(5-methylfuran-2-yl)-1,3-thiazolidin-4-one?
The canonical SMILES for 3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-(5-methylfuran-2-yl)-1,3-thiazolidin-4-one is Cc1ccc(C2SCC(=O)N2Cc2cn3ccsc3n2)o1.
What is the InChIKey of 3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-(5-methylfuran-2-yl)-1,3-thiazolidin-4-one?
The InChIKey is UNLPAAJGKUTHGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2S2/c1-9-2-3-11(19-9)13-17(12(18)8-21-13)7-10-6-16-4-5-20-14(16)15-10/h2-6,13H,7-8H2,1H3.
What are the key properties of 3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-(5-methylfuran-2-yl)-1,3-thiazolidin-4-one?
3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-(5-methylfuran-2-yl)-1,3-thiazolidin-4-one has a molecular weight of 319.41 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-(5-methylfuran-2-yl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 2998689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).