1-acetyl-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pyrrolidine-3-carboxamide

C13H19N3O2S — CID 136512712

IUPAC1-acetyl-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pyrrolidine-3-carboxamide
SMILESCC(=O)N1CCC(C(=O)NC(C)(C)c2nccs2)C1
InChIInChI=1S/C13H19N3O2S/c1-9(17)16-6-4-10(8-16)11(18)15-13(2,3)12-14-5-7-19-12/h5,7,10H,4,6,8H2,1-3H3,(H,15,18)
InChIKeyVCUCNYXEKDVEIL-UHFFFAOYSA-N
MW281.38 g/mol
LogP1.36
Rot. Bonds3

About 1-acetyl-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pyrrolidine-3-carboxamide

1-acetyl-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pyrrolidine-3-carboxamide (PubChem CID 136512712) has the molecular formula C13H19N3O2S and a molecular weight of 281.38 g/mol. Its IUPAC name is 1-acetyl-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pyrrolidine-3-carboxamide
PubChem CID136512712
Molecular FormulaC13H19N3O2S
Molecular Weight281.38 g/mol
Exact Mass281.12
IUPAC Name1-acetyl-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pyrrolidine-3-carboxamide
SMILESCC(=O)N1CCC(C(=O)NC(C)(C)c2nccs2)C1
InChIInChI=1S/C13H19N3O2S/c1-9(17)16-6-4-10(8-16)11(18)15-13(2,3)12-14-5-7-19-12/h5,7,10H,4,6,8H2,1-3H3,(H,15,18)
InChIKeyVCUCNYXEKDVEIL-UHFFFAOYSA-N
XLogP1.36
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pyrrolidine-3-carboxamide?
The IUPAC name of 1-acetyl-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pyrrolidine-3-carboxamide (CID 136512712) is 1-acetyl-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-acetyl-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pyrrolidine-3-carboxamide?
The canonical SMILES for 1-acetyl-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pyrrolidine-3-carboxamide is CC(=O)N1CCC(C(=O)NC(C)(C)c2nccs2)C1.
What is the InChIKey of 1-acetyl-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pyrrolidine-3-carboxamide?
The InChIKey is VCUCNYXEKDVEIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2S/c1-9(17)16-6-4-10(8-16)11(18)15-13(2,3)12-14-5-7-19-12/h5,7,10H,4,6,8H2,1-3H3,(H,15,18).
What are the key properties of 1-acetyl-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pyrrolidine-3-carboxamide?
1-acetyl-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pyrrolidine-3-carboxamide has a molecular weight of 281.38 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 136512712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).