2-(pyrrolidin-3-yloxymethyl)-1,3-thiazole

C8H12N2OS — CID 75356563

IUPAC2-(pyrrolidin-3-yloxymethyl)-1,3-thiazole
SMILESc1csc(COC2CCNC2)n1
InChIInChI=1S/C8H12N2OS/c1-2-9-5-7(1)11-6-8-10-3-4-12-8/h3-4,7,9H,1-2,5-6H2
InChIKeyBNHTVWFUKJBIGY-UHFFFAOYSA-N
MW184.26 g/mol
LogP1.02
Rot. Bonds3

About 2-(pyrrolidin-3-yloxymethyl)-1,3-thiazole

2-(pyrrolidin-3-yloxymethyl)-1,3-thiazole (PubChem CID 75356563) has the molecular formula C8H12N2OS and a molecular weight of 184.26 g/mol. Its IUPAC name is 2-(pyrrolidin-3-yloxymethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-(pyrrolidin-3-yloxymethyl)-1,3-thiazole
PubChem CID75356563
Molecular FormulaC8H12N2OS
Molecular Weight184.26 g/mol
Exact Mass184.07
IUPAC Name2-(pyrrolidin-3-yloxymethyl)-1,3-thiazole
SMILESc1csc(COC2CCNC2)n1
InChIInChI=1S/C8H12N2OS/c1-2-9-5-7(1)11-6-8-10-3-4-12-8/h3-4,7,9H,1-2,5-6H2
InChIKeyBNHTVWFUKJBIGY-UHFFFAOYSA-N
XLogP1.02
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(pyrrolidin-3-yloxymethyl)-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 2-(pyrrolidin-3-yloxymethyl)-1,3-thiazole?
The IUPAC name of 2-(pyrrolidin-3-yloxymethyl)-1,3-thiazole (CID 75356563) is 2-(pyrrolidin-3-yloxymethyl)-1,3-thiazole.
What is the SMILES notation for 2-(pyrrolidin-3-yloxymethyl)-1,3-thiazole?
The canonical SMILES for 2-(pyrrolidin-3-yloxymethyl)-1,3-thiazole is c1csc(COC2CCNC2)n1.
What is the InChIKey of 2-(pyrrolidin-3-yloxymethyl)-1,3-thiazole?
The InChIKey is BNHTVWFUKJBIGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2OS/c1-2-9-5-7(1)11-6-8-10-3-4-12-8/h3-4,7,9H,1-2,5-6H2.
What are the key properties of 2-(pyrrolidin-3-yloxymethyl)-1,3-thiazole?
2-(pyrrolidin-3-yloxymethyl)-1,3-thiazole has a molecular weight of 184.26 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyrrolidin-3-yloxymethyl)-1,3-thiazole is sourced from PubChem (CID 75356563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).