1,3-thiazol-2-ylmethyl 2-(methylcarbamoyl)pyrrolidine-1-carboxylate

C11H15N3O3S — CID 67612273

IUPAC1,3-thiazol-2-ylmethyl 2-(methylcarbamoyl)pyrrolidine-1-carboxylate
SMILESCNC(=O)C1CCCN1C(=O)OCc1nccs1
InChIInChI=1S/C11H15N3O3S/c1-12-10(15)8-3-2-5-14(8)11(16)17-7-9-13-4-6-18-9/h4,6,8H,2-3,5,7H2,1H3,(H,12,15)
InChIKeyCZMXFFCTGAZMKD-UHFFFAOYSA-N
MW269.33 g/mol
LogP0.99
Rot. Bonds3

About 1,3-thiazol-2-ylmethyl 2-(methylcarbamoyl)pyrrolidine-1-carboxylate

1,3-thiazol-2-ylmethyl 2-(methylcarbamoyl)pyrrolidine-1-carboxylate (PubChem CID 67612273) has the molecular formula C11H15N3O3S and a molecular weight of 269.33 g/mol. Its IUPAC name is 1,3-thiazol-2-ylmethyl 2-(methylcarbamoyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Name1,3-thiazol-2-ylmethyl 2-(methylcarbamoyl)pyrrolidine-1-carboxylate
PubChem CID67612273
Molecular FormulaC11H15N3O3S
Molecular Weight269.33 g/mol
Exact Mass269.08
IUPAC Name1,3-thiazol-2-ylmethyl 2-(methylcarbamoyl)pyrrolidine-1-carboxylate
SMILESCNC(=O)C1CCCN1C(=O)OCc1nccs1
InChIInChI=1S/C11H15N3O3S/c1-12-10(15)8-3-2-5-14(8)11(16)17-7-9-13-4-6-18-9/h4,6,8H,2-3,5,7H2,1H3,(H,12,15)
InChIKeyCZMXFFCTGAZMKD-UHFFFAOYSA-N
XLogP0.99
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1,3-thiazol-2-ylmethyl 2-(methylcarbamoyl)pyrrolidine-1-carboxylate 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 1,3-thiazol-2-ylmethyl 2-(methylcarbamoyl)pyrrolidine-1-carboxylate?
The IUPAC name of 1,3-thiazol-2-ylmethyl 2-(methylcarbamoyl)pyrrolidine-1-carboxylate (CID 67612273) is 1,3-thiazol-2-ylmethyl 2-(methylcarbamoyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for 1,3-thiazol-2-ylmethyl 2-(methylcarbamoyl)pyrrolidine-1-carboxylate?
The canonical SMILES for 1,3-thiazol-2-ylmethyl 2-(methylcarbamoyl)pyrrolidine-1-carboxylate is CNC(=O)C1CCCN1C(=O)OCc1nccs1.
What is the InChIKey of 1,3-thiazol-2-ylmethyl 2-(methylcarbamoyl)pyrrolidine-1-carboxylate?
The InChIKey is CZMXFFCTGAZMKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3S/c1-12-10(15)8-3-2-5-14(8)11(16)17-7-9-13-4-6-18-9/h4,6,8H,2-3,5,7H2,1H3,(H,12,15).
What are the key properties of 1,3-thiazol-2-ylmethyl 2-(methylcarbamoyl)pyrrolidine-1-carboxylate?
1,3-thiazol-2-ylmethyl 2-(methylcarbamoyl)pyrrolidine-1-carboxylate has a molecular weight of 269.33 g/mol, XLogP of 0.99, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-thiazol-2-ylmethyl 2-(methylcarbamoyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 67612273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).