N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-4-methylpyrrolidine-3-carboxamide

C12H19N3OS — CID 63715837

IUPACN-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-4-methylpyrrolidine-3-carboxamide
SMILESCCc1nc(NC(=O)C2CNCC2C)sc1C
InChIInChI=1S/C12H19N3OS/c1-4-10-8(3)17-12(14-10)15-11(16)9-6-13-5-7(9)2/h7,9,13H,4-6H2,1-3H3,(H,14,15,16)
InChIKeyAIMZUSARUPSYPD-UHFFFAOYSA-N
MW253.37 g/mol
LogP1.81
Rot. Bonds3

About N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-4-methylpyrrolidine-3-carboxamide

N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-4-methylpyrrolidine-3-carboxamide (PubChem CID 63715837) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-4-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-4-methylpyrrolidine-3-carboxamide
PubChem CID63715837
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC NameN-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-4-methylpyrrolidine-3-carboxamide
SMILESCCc1nc(NC(=O)C2CNCC2C)sc1C
InChIInChI=1S/C12H19N3OS/c1-4-10-8(3)17-12(14-10)15-11(16)9-6-13-5-7(9)2/h7,9,13H,4-6H2,1-3H3,(H,14,15,16)
InChIKeyAIMZUSARUPSYPD-UHFFFAOYSA-N
XLogP1.81
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-4-methylpyrrolidine-3-carboxamide?
The IUPAC name of N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-4-methylpyrrolidine-3-carboxamide (CID 63715837) is N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-4-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-4-methylpyrrolidine-3-carboxamide?
The canonical SMILES for N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-4-methylpyrrolidine-3-carboxamide is CCc1nc(NC(=O)C2CNCC2C)sc1C.
What is the InChIKey of N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-4-methylpyrrolidine-3-carboxamide?
The InChIKey is AIMZUSARUPSYPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS/c1-4-10-8(3)17-12(14-10)15-11(16)9-6-13-5-7(9)2/h7,9,13H,4-6H2,1-3H3,(H,14,15,16).
What are the key properties of N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-4-methylpyrrolidine-3-carboxamide?
N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-4-methylpyrrolidine-3-carboxamide has a molecular weight of 253.37 g/mol, XLogP of 1.81, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-4-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 63715837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).