1,3-thiazol-2-ylmethyl 2-(propan-2-ylcarbamoyl)pyrrolidine-1-carboxylate

C13H19N3O3S — CID 59540406

IUPAC1,3-thiazol-2-ylmethyl 2-(propan-2-ylcarbamoyl)pyrrolidine-1-carboxylate
SMILESCC(C)NC(=O)C1CCCN1C(=O)OCc1nccs1
InChIInChI=1S/C13H19N3O3S/c1-9(2)15-12(17)10-4-3-6-16(10)13(18)19-8-11-14-5-7-20-11/h5,7,9-10H,3-4,6,8H2,1-2H3,(H,15,17)
InChIKeyQAJAJVXZWJUKOL-UHFFFAOYSA-N
MW297.38 g/mol
LogP1.77
Rot. Bonds4

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

1,3-thiazol-2-ylmethyl 2-(propan-2-ylcarbamoyl)pyrrolidine-1-carboxylate (PubChem CID 59540406) has the molecular formula C13H19N3O3S and a molecular weight of 297.38 g/mol. Its IUPAC name is 1,3-thiazol-2-ylmethyl 2-(propan-2-ylcarbamoyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Name1,3-thiazol-2-ylmethyl 2-(propan-2-ylcarbamoyl)pyrrolidine-1-carboxylate
PubChem CID59540406
Molecular FormulaC13H19N3O3S
Molecular Weight297.38 g/mol
Exact Mass297.11
IUPAC Name1,3-thiazol-2-ylmethyl 2-(propan-2-ylcarbamoyl)pyrrolidine-1-carboxylate
SMILESCC(C)NC(=O)C1CCCN1C(=O)OCc1nccs1
InChIInChI=1S/C13H19N3O3S/c1-9(2)15-12(17)10-4-3-6-16(10)13(18)19-8-11-14-5-7-20-11/h5,7,9-10H,3-4,6,8H2,1-2H3,(H,15,17)
InChIKeyQAJAJVXZWJUKOL-UHFFFAOYSA-N
XLogP1.77
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1,3-thiazol-2-ylmethyl 2-(propan-2-ylcarbamoyl)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-(propan-2-ylcarbamoyl)pyrrolidine-1-carboxylate?
The IUPAC name of 1,3-thiazol-2-ylmethyl 2-(propan-2-ylcarbamoyl)pyrrolidine-1-carboxylate (CID 59540406) is 1,3-thiazol-2-ylmethyl 2-(propan-2-ylcarbamoyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for 1,3-thiazol-2-ylmethyl 2-(propan-2-ylcarbamoyl)pyrrolidine-1-carboxylate?
The canonical SMILES for 1,3-thiazol-2-ylmethyl 2-(propan-2-ylcarbamoyl)pyrrolidine-1-carboxylate is CC(C)NC(=O)C1CCCN1C(=O)OCc1nccs1.
What is the InChIKey of 1,3-thiazol-2-ylmethyl 2-(propan-2-ylcarbamoyl)pyrrolidine-1-carboxylate?
The InChIKey is QAJAJVXZWJUKOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3S/c1-9(2)15-12(17)10-4-3-6-16(10)13(18)19-8-11-14-5-7-20-11/h5,7,9-10H,3-4,6,8H2,1-2H3,(H,15,17).
What are the key properties of 1,3-thiazol-2-ylmethyl 2-(propan-2-ylcarbamoyl)pyrrolidine-1-carboxylate?
1,3-thiazol-2-ylmethyl 2-(propan-2-ylcarbamoyl)pyrrolidine-1-carboxylate has a molecular weight of 297.38 g/mol, XLogP of 1.77, 4 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-(propan-2-ylcarbamoyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 59540406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).