N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-pyrrolidin-2-ylacetamide

C13H21N3OS — CID 61363906

IUPACN-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-pyrrolidin-2-ylacetamide
SMILESCc1nc(C)c(C(C)NC(=O)CC2CCCN2)s1
InChIInChI=1S/C13H21N3OS/c1-8-13(18-10(3)15-8)9(2)16-12(17)7-11-5-4-6-14-11/h9,11,14H,4-7H2,1-3H3,(H,16,17)
InChIKeyPTHWPXNLNFWOHF-UHFFFAOYSA-N
MW267.40 g/mol
LogP2.08
Rot. Bonds4

About N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-pyrrolidin-2-ylacetamide

N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-pyrrolidin-2-ylacetamide (PubChem CID 61363906) has the molecular formula C13H21N3OS and a molecular weight of 267.40 g/mol. Its IUPAC name is N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-pyrrolidin-2-ylacetamide.

Molecular Properties

Compound NameN-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-pyrrolidin-2-ylacetamide
PubChem CID61363906
Molecular FormulaC13H21N3OS
Molecular Weight267.40 g/mol
Exact Mass267.14
IUPAC NameN-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-pyrrolidin-2-ylacetamide
SMILESCc1nc(C)c(C(C)NC(=O)CC2CCCN2)s1
InChIInChI=1S/C13H21N3OS/c1-8-13(18-10(3)15-8)9(2)16-12(17)7-11-5-4-6-14-11/h9,11,14H,4-7H2,1-3H3,(H,16,17)
InChIKeyPTHWPXNLNFWOHF-UHFFFAOYSA-N
XLogP2.08
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.40
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-pyrrolidin-2-ylacetamide 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 N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-pyrrolidin-2-ylacetamide?
The IUPAC name of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-pyrrolidin-2-ylacetamide (CID 61363906) is N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-pyrrolidin-2-ylacetamide.
What is the SMILES notation for N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-pyrrolidin-2-ylacetamide?
The canonical SMILES for N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-pyrrolidin-2-ylacetamide is Cc1nc(C)c(C(C)NC(=O)CC2CCCN2)s1.
What is the InChIKey of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-pyrrolidin-2-ylacetamide?
The InChIKey is PTHWPXNLNFWOHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3OS/c1-8-13(18-10(3)15-8)9(2)16-12(17)7-11-5-4-6-14-11/h9,11,14H,4-7H2,1-3H3,(H,16,17).
What are the key properties of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-pyrrolidin-2-ylacetamide?
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-pyrrolidin-2-ylacetamide has a molecular weight of 267.40 g/mol, XLogP of 2.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-pyrrolidin-2-ylacetamide is sourced from PubChem (CID 61363906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).