4-ethyl-6-(3-methylpentan-3-yl)-5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazole

C13H22N2S — CID 68574091

IUPAC4-ethyl-6-(3-methylpentan-3-yl)-5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazole
SMILESCCC1NC(C(C)(CC)CC)c2scnc21
InChIInChI=1S/C13H22N2S/c1-5-9-10-11(16-8-14-10)12(15-9)13(4,6-2)7-3/h8-9,12,15H,5-7H2,1-4H3
InChIKeyPGXYYSFHZCNFSF-UHFFFAOYSA-N
MW238.40 g/mol
LogP4.06
Rot. Bonds4

About 4-ethyl-6-(3-methylpentan-3-yl)-5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazole

4-ethyl-6-(3-methylpentan-3-yl)-5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazole (PubChem CID 68574091) has the molecular formula C13H22N2S and a molecular weight of 238.40 g/mol. Its IUPAC name is 4-ethyl-6-(3-methylpentan-3-yl)-5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazole.

Molecular Properties

Compound Name4-ethyl-6-(3-methylpentan-3-yl)-5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazole
PubChem CID68574091
Molecular FormulaC13H22N2S
Molecular Weight238.40 g/mol
Exact Mass238.15
IUPAC Name4-ethyl-6-(3-methylpentan-3-yl)-5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazole
SMILESCCC1NC(C(C)(CC)CC)c2scnc21
InChIInChI=1S/C13H22N2S/c1-5-9-10-11(16-8-14-10)12(15-9)13(4,6-2)7-3/h8-9,12,15H,5-7H2,1-4H3
InChIKeyPGXYYSFHZCNFSF-UHFFFAOYSA-N
XLogP4.06
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.40
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-ethyl-6-(3-methylpentan-3-yl)-5,6-dihydro-4H-pyrrolo[3,4-d][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-ethyl-6-(3-methylpentan-3-yl)-5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazole?
The IUPAC name of 4-ethyl-6-(3-methylpentan-3-yl)-5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazole (CID 68574091) is 4-ethyl-6-(3-methylpentan-3-yl)-5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazole.
What is the SMILES notation for 4-ethyl-6-(3-methylpentan-3-yl)-5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazole?
The canonical SMILES for 4-ethyl-6-(3-methylpentan-3-yl)-5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazole is CCC1NC(C(C)(CC)CC)c2scnc21.
What is the InChIKey of 4-ethyl-6-(3-methylpentan-3-yl)-5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazole?
The InChIKey is PGXYYSFHZCNFSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2S/c1-5-9-10-11(16-8-14-10)12(15-9)13(4,6-2)7-3/h8-9,12,15H,5-7H2,1-4H3.
What are the key properties of 4-ethyl-6-(3-methylpentan-3-yl)-5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazole?
4-ethyl-6-(3-methylpentan-3-yl)-5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazole has a molecular weight of 238.40 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-6-(3-methylpentan-3-yl)-5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazole is sourced from PubChem (CID 68574091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).