N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide

C15H23N3O2S — CID 72855638

IUPACN-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide
SMILESCCN1CC(C(=O)NCCCc2nc(C)c(C)s2)CC1=O
InChIInChI=1S/C15H23N3O2S/c1-4-18-9-12(8-14(18)19)15(20)16-7-5-6-13-17-10(2)11(3)21-13/h12H,4-9H2,1-3H3,(H,16,20)
InChIKeyRGHABDMYJXOZIX-UHFFFAOYSA-N
MW309.44 g/mol
LogP1.68
Rot. Bonds6

About N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide

N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 72855638) has the molecular formula C15H23N3O2S and a molecular weight of 309.44 g/mol. Its IUPAC name is N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide
PubChem CID72855638
Molecular FormulaC15H23N3O2S
Molecular Weight309.44 g/mol
Exact Mass309.15
IUPAC NameN-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide
SMILESCCN1CC(C(=O)NCCCc2nc(C)c(C)s2)CC1=O
InChIInChI=1S/C15H23N3O2S/c1-4-18-9-12(8-14(18)19)15(20)16-7-5-6-13-17-10(2)11(3)21-13/h12H,4-9H2,1-3H3,(H,16,20)
InChIKeyRGHABDMYJXOZIX-UHFFFAOYSA-N
XLogP1.68
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.44
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide (CID 72855638) is N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide is CCN1CC(C(=O)NCCCc2nc(C)c(C)s2)CC1=O.
What is the InChIKey of N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is RGHABDMYJXOZIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2S/c1-4-18-9-12(8-14(18)19)15(20)16-7-5-6-13-17-10(2)11(3)21-13/h12H,4-9H2,1-3H3,(H,16,20).
What are the key properties of N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide?
N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 309.44 g/mol, XLogP of 1.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 72855638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).