2-methylpropyl 2-(1,3-thiazol-2-ylcarbamoyl)pyrrolidine-1-carboxylate

C13H19N3O3S — CID 664447

IUPAC2-methylpropyl 2-(1,3-thiazol-2-ylcarbamoyl)pyrrolidine-1-carboxylate
SMILESCC(C)COC(=O)N1CCCC1C(=O)Nc1nccs1
InChIInChI=1S/C13H19N3O3S/c1-9(2)8-19-13(18)16-6-3-4-10(16)11(17)15-12-14-5-7-20-12/h5,7,9-10H,3-4,6,8H2,1-2H3,(H,14,15,17)
InChIKeyRFCGIWCZDAEYGC-UHFFFAOYSA-N
MW297.38 g/mol
LogP2.34
Rot. Bonds4

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

2-methylpropyl 2-(1,3-thiazol-2-ylcarbamoyl)pyrrolidine-1-carboxylate (PubChem CID 664447) has the molecular formula C13H19N3O3S and a molecular weight of 297.38 g/mol. Its IUPAC name is 2-methylpropyl 2-(1,3-thiazol-2-ylcarbamoyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Name2-methylpropyl 2-(1,3-thiazol-2-ylcarbamoyl)pyrrolidine-1-carboxylate
PubChem CID664447
Molecular FormulaC13H19N3O3S
Molecular Weight297.38 g/mol
Exact Mass297.11
IUPAC Name2-methylpropyl 2-(1,3-thiazol-2-ylcarbamoyl)pyrrolidine-1-carboxylate
SMILESCC(C)COC(=O)N1CCCC1C(=O)Nc1nccs1
InChIInChI=1S/C13H19N3O3S/c1-9(2)8-19-13(18)16-6-3-4-10(16)11(17)15-12-14-5-7-20-12/h5,7,9-10H,3-4,6,8H2,1-2H3,(H,14,15,17)
InChIKeyRFCGIWCZDAEYGC-UHFFFAOYSA-N
XLogP2.34
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 ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 2-(1,3-thiazol-2-ylcarbamoyl)pyrrolidine-1-carboxylate?
The IUPAC name of 2-methylpropyl 2-(1,3-thiazol-2-ylcarbamoyl)pyrrolidine-1-carboxylate (CID 664447) is 2-methylpropyl 2-(1,3-thiazol-2-ylcarbamoyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for 2-methylpropyl 2-(1,3-thiazol-2-ylcarbamoyl)pyrrolidine-1-carboxylate?
The canonical SMILES for 2-methylpropyl 2-(1,3-thiazol-2-ylcarbamoyl)pyrrolidine-1-carboxylate is CC(C)COC(=O)N1CCCC1C(=O)Nc1nccs1.
What is the InChIKey of 2-methylpropyl 2-(1,3-thiazol-2-ylcarbamoyl)pyrrolidine-1-carboxylate?
The InChIKey is RFCGIWCZDAEYGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3S/c1-9(2)8-19-13(18)16-6-3-4-10(16)11(17)15-12-14-5-7-20-12/h5,7,9-10H,3-4,6,8H2,1-2H3,(H,14,15,17).
What are the key properties of 2-methylpropyl 2-(1,3-thiazol-2-ylcarbamoyl)pyrrolidine-1-carboxylate?
2-methylpropyl 2-(1,3-thiazol-2-ylcarbamoyl)pyrrolidine-1-carboxylate has a molecular weight of 297.38 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 2-(1,3-thiazol-2-ylcarbamoyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 664447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).