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

C13H21N3O2S — CID 61214522

IUPACN-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-methoxypyrrolidine-2-carboxamide
SMILESCOC1CNC(C(=O)NC(C)c2sc(C)nc2C)C1
InChIInChI=1S/C13H21N3O2S/c1-7-12(19-9(3)15-7)8(2)16-13(17)11-5-10(18-4)6-14-11/h8,10-11,14H,5-6H2,1-4H3,(H,16,17)
InChIKeyXLAHFQLJYIYLJU-UHFFFAOYSA-N
MW283.40 g/mol
LogP1.31
Rot. Bonds4

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

N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-methoxypyrrolidine-2-carboxamide (PubChem CID 61214522) has the molecular formula C13H21N3O2S and a molecular weight of 283.40 g/mol. Its IUPAC name is N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-methoxypyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-methoxypyrrolidine-2-carboxamide
PubChem CID61214522
Molecular FormulaC13H21N3O2S
Molecular Weight283.40 g/mol
Exact Mass283.14
IUPAC NameN-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-methoxypyrrolidine-2-carboxamide
SMILESCOC1CNC(C(=O)NC(C)c2sc(C)nc2C)C1
InChIInChI=1S/C13H21N3O2S/c1-7-12(19-9(3)15-7)8(2)16-13(17)11-5-10(18-4)6-14-11/h8,10-11,14H,5-6H2,1-4H3,(H,16,17)
InChIKeyXLAHFQLJYIYLJU-UHFFFAOYSA-N
XLogP1.31
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-methoxypyrrolidine-2-carboxamide?
The IUPAC name of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-methoxypyrrolidine-2-carboxamide (CID 61214522) is N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-methoxypyrrolidine-2-carboxamide.
What is the SMILES notation for N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-methoxypyrrolidine-2-carboxamide?
The canonical SMILES for N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-methoxypyrrolidine-2-carboxamide is COC1CNC(C(=O)NC(C)c2sc(C)nc2C)C1.
What is the InChIKey of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-methoxypyrrolidine-2-carboxamide?
The InChIKey is XLAHFQLJYIYLJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S/c1-7-12(19-9(3)15-7)8(2)16-13(17)11-5-10(18-4)6-14-11/h8,10-11,14H,5-6H2,1-4H3,(H,16,17).
What are the key properties of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-methoxypyrrolidine-2-carboxamide?
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-methoxypyrrolidine-2-carboxamide has a molecular weight of 283.40 g/mol, XLogP of 1.31, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-methoxypyrrolidine-2-carboxamide is sourced from PubChem (CID 61214522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).