2-methyl-5-(pyrrolidin-1-ylmethyl)-1,3-thiazole

C9H14N2S — CID 23506351

IUPAC2-methyl-5-(pyrrolidin-1-ylmethyl)-1,3-thiazole
SMILESCc1ncc(CN2CCCC2)s1
InChIInChI=1S/C9H14N2S/c1-8-10-6-9(12-8)7-11-4-2-3-5-11/h6H,2-5,7H2,1H3
InChIKeyUFOYKQDCSIUCJT-UHFFFAOYSA-N
MW182.29 g/mol
LogP2.05
Rot. Bonds2

About 2-methyl-5-(pyrrolidin-1-ylmethyl)-1,3-thiazole

2-methyl-5-(pyrrolidin-1-ylmethyl)-1,3-thiazole (PubChem CID 23506351) has the molecular formula C9H14N2S and a molecular weight of 182.29 g/mol. Its IUPAC name is 2-methyl-5-(pyrrolidin-1-ylmethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-methyl-5-(pyrrolidin-1-ylmethyl)-1,3-thiazole
PubChem CID23506351
Molecular FormulaC9H14N2S
Molecular Weight182.29 g/mol
Exact Mass182.09
IUPAC Name2-methyl-5-(pyrrolidin-1-ylmethyl)-1,3-thiazole
SMILESCc1ncc(CN2CCCC2)s1
InChIInChI=1S/C9H14N2S/c1-8-10-6-9(12-8)7-11-4-2-3-5-11/h6H,2-5,7H2,1H3
InChIKeyUFOYKQDCSIUCJT-UHFFFAOYSA-N
XLogP2.05
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.29
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-methyl-5-(pyrrolidin-1-ylmethyl)-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-methyl-5-(pyrrolidin-1-ylmethyl)-1,3-thiazole?
The IUPAC name of 2-methyl-5-(pyrrolidin-1-ylmethyl)-1,3-thiazole (CID 23506351) is 2-methyl-5-(pyrrolidin-1-ylmethyl)-1,3-thiazole.
What is the SMILES notation for 2-methyl-5-(pyrrolidin-1-ylmethyl)-1,3-thiazole?
The canonical SMILES for 2-methyl-5-(pyrrolidin-1-ylmethyl)-1,3-thiazole is Cc1ncc(CN2CCCC2)s1.
What is the InChIKey of 2-methyl-5-(pyrrolidin-1-ylmethyl)-1,3-thiazole?
The InChIKey is UFOYKQDCSIUCJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2S/c1-8-10-6-9(12-8)7-11-4-2-3-5-11/h6H,2-5,7H2,1H3.
What are the key properties of 2-methyl-5-(pyrrolidin-1-ylmethyl)-1,3-thiazole?
2-methyl-5-(pyrrolidin-1-ylmethyl)-1,3-thiazole has a molecular weight of 182.29 g/mol, XLogP of 2.05, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(pyrrolidin-1-ylmethyl)-1,3-thiazole is sourced from PubChem (CID 23506351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).