4-(4-methyl-1,3-dioxetan-2-yl)-2-pyrrolidin-2-yl-1,3-thiazole

C10H14N2O2S — CID 67579600

IUPAC4-(4-methyl-1,3-dioxetan-2-yl)-2-pyrrolidin-2-yl-1,3-thiazole
SMILESCC1OC(c2csc(C3CCCN3)n2)O1
InChIInChI=1S/C10H14N2O2S/c1-6-13-10(14-6)8-5-15-9(12-8)7-3-2-4-11-7/h5-7,10-11H,2-4H2,1H3
InChIKeyZSQQPLODXUIGOO-UHFFFAOYSA-N
MW226.30 g/mol
LogP1.96
Rot. Bonds2

About 4-(4-methyl-1,3-dioxetan-2-yl)-2-pyrrolidin-2-yl-1,3-thiazole

4-(4-methyl-1,3-dioxetan-2-yl)-2-pyrrolidin-2-yl-1,3-thiazole (PubChem CID 67579600) has the molecular formula C10H14N2O2S and a molecular weight of 226.30 g/mol. Its IUPAC name is 4-(4-methyl-1,3-dioxetan-2-yl)-2-pyrrolidin-2-yl-1,3-thiazole.

Molecular Properties

Compound Name4-(4-methyl-1,3-dioxetan-2-yl)-2-pyrrolidin-2-yl-1,3-thiazole
PubChem CID67579600
Molecular FormulaC10H14N2O2S
Molecular Weight226.30 g/mol
Exact Mass226.08
IUPAC Name4-(4-methyl-1,3-dioxetan-2-yl)-2-pyrrolidin-2-yl-1,3-thiazole
SMILESCC1OC(c2csc(C3CCCN3)n2)O1
InChIInChI=1S/C10H14N2O2S/c1-6-13-10(14-6)8-5-15-9(12-8)7-3-2-4-11-7/h5-7,10-11H,2-4H2,1H3
InChIKeyZSQQPLODXUIGOO-UHFFFAOYSA-N
XLogP1.96
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(4-methyl-1,3-dioxetan-2-yl)-2-pyrrolidin-2-yl-1,3-thiazole 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 4-(4-methyl-1,3-dioxetan-2-yl)-2-pyrrolidin-2-yl-1,3-thiazole?
The IUPAC name of 4-(4-methyl-1,3-dioxetan-2-yl)-2-pyrrolidin-2-yl-1,3-thiazole (CID 67579600) is 4-(4-methyl-1,3-dioxetan-2-yl)-2-pyrrolidin-2-yl-1,3-thiazole.
What is the SMILES notation for 4-(4-methyl-1,3-dioxetan-2-yl)-2-pyrrolidin-2-yl-1,3-thiazole?
The canonical SMILES for 4-(4-methyl-1,3-dioxetan-2-yl)-2-pyrrolidin-2-yl-1,3-thiazole is CC1OC(c2csc(C3CCCN3)n2)O1.
What is the InChIKey of 4-(4-methyl-1,3-dioxetan-2-yl)-2-pyrrolidin-2-yl-1,3-thiazole?
The InChIKey is ZSQQPLODXUIGOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2S/c1-6-13-10(14-6)8-5-15-9(12-8)7-3-2-4-11-7/h5-7,10-11H,2-4H2,1H3.
What are the key properties of 4-(4-methyl-1,3-dioxetan-2-yl)-2-pyrrolidin-2-yl-1,3-thiazole?
4-(4-methyl-1,3-dioxetan-2-yl)-2-pyrrolidin-2-yl-1,3-thiazole has a molecular weight of 226.30 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methyl-1,3-dioxetan-2-yl)-2-pyrrolidin-2-yl-1,3-thiazole is sourced from PubChem (CID 67579600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).