2-(3-methylimidazol-4-yl)-1,3-thiazolidine

C7H11N3S — CID 66116625

IUPAC2-(3-methylimidazol-4-yl)-1,3-thiazolidine
SMILESCn1cncc1C1NCCS1
InChIInChI=1S/C7H11N3S/c1-10-5-8-4-6(10)7-9-2-3-11-7/h4-5,7,9H,2-3H2,1H3
InChIKeyNWIJAYCUSUJSFE-UHFFFAOYSA-N
MW169.25 g/mol
LogP0.76
Rot. Bonds1

About 2-(3-methylimidazol-4-yl)-1,3-thiazolidine

2-(3-methylimidazol-4-yl)-1,3-thiazolidine (PubChem CID 66116625) has the molecular formula C7H11N3S and a molecular weight of 169.25 g/mol. Its IUPAC name is 2-(3-methylimidazol-4-yl)-1,3-thiazolidine.

Molecular Properties

Compound Name2-(3-methylimidazol-4-yl)-1,3-thiazolidine
PubChem CID66116625
Molecular FormulaC7H11N3S
Molecular Weight169.25 g/mol
Exact Mass169.07
IUPAC Name2-(3-methylimidazol-4-yl)-1,3-thiazolidine
SMILESCn1cncc1C1NCCS1
InChIInChI=1S/C7H11N3S/c1-10-5-8-4-6(10)7-9-2-3-11-7/h4-5,7,9H,2-3H2,1H3
InChIKeyNWIJAYCUSUJSFE-UHFFFAOYSA-N
XLogP0.76
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.25
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylimidazol-4-yl)-1,3-thiazolidine?
The IUPAC name of 2-(3-methylimidazol-4-yl)-1,3-thiazolidine (CID 66116625) is 2-(3-methylimidazol-4-yl)-1,3-thiazolidine.
What is the SMILES notation for 2-(3-methylimidazol-4-yl)-1,3-thiazolidine?
The canonical SMILES for 2-(3-methylimidazol-4-yl)-1,3-thiazolidine is Cn1cncc1C1NCCS1.
What is the InChIKey of 2-(3-methylimidazol-4-yl)-1,3-thiazolidine?
The InChIKey is NWIJAYCUSUJSFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3S/c1-10-5-8-4-6(10)7-9-2-3-11-7/h4-5,7,9H,2-3H2,1H3.
What are the key properties of 2-(3-methylimidazol-4-yl)-1,3-thiazolidine?
2-(3-methylimidazol-4-yl)-1,3-thiazolidine has a molecular weight of 169.25 g/mol, XLogP of 0.76, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylimidazol-4-yl)-1,3-thiazolidine is sourced from PubChem (CID 66116625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).