2-ethyl-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyrrolidine-2-carboxamide

C12H19N3OS — CID 83071366

IUPAC2-ethyl-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyrrolidine-2-carboxamide
SMILESCCC1(C(=O)N(C)Cc2cscn2)CCCN1
InChIInChI=1S/C12H19N3OS/c1-3-12(5-4-6-14-12)11(16)15(2)7-10-8-17-9-13-10/h8-9,14H,3-7H2,1-2H3
InChIKeyJXSVJAGAOUMBQT-UHFFFAOYSA-N
MW253.37 g/mol
LogP1.63
Rot. Bonds4

About 2-ethyl-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyrrolidine-2-carboxamide

2-ethyl-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyrrolidine-2-carboxamide (PubChem CID 83071366) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is 2-ethyl-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyrrolidine-2-carboxamide
PubChem CID83071366
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC Name2-ethyl-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyrrolidine-2-carboxamide
SMILESCCC1(C(=O)N(C)Cc2cscn2)CCCN1
InChIInChI=1S/C12H19N3OS/c1-3-12(5-4-6-14-12)11(16)15(2)7-10-8-17-9-13-10/h8-9,14H,3-7H2,1-2H3
InChIKeyJXSVJAGAOUMBQT-UHFFFAOYSA-N
XLogP1.63
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,3-dimethyl-N-(1,3-thiazol-4-ylmethyl)piperidine-3-carboxamide
CID 55164319
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-propylpyrrolidine-2-carboxamide
CID 106974560
1-benzyl-N-methyl-N-(1,3-thiazol-4-ylmethyl)cyclobutane-1-carboxamide
CID 75495083
1-(4-aminophenyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)cyclopropane-1-carboxamide
CID 115913584
2-ethyl-N-methyl-N-[2-oxo-2-(propylamino)ethyl]pyrrolidine-2-carboxamide
CID 83071737
N-methyl-N-(1,3-thiazol-4-ylmethyl)pyrrolidine-1-carboxamide
CID 115592952
2-ethyl-N-methyl-N-(2-methylbutyl)pyrrolidine-2-carboxamide
CID 83079995
(2S)-2-amino-N-methyl-N-(1,3-thiazol-4-ylmethyl)pentanamide
CID 107569472
2-ethyl-N-methyl-N-propan-2-ylpyrrolidine-2-carboxamide
CID 83080860
N-[(2,4-dimethylphenyl)methyl]-N-methyl-2-propylpyrrolidine-2-carboxamide
CID 106974588
N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2-propylpyrrolidine-2-carboxamide
CID 106975311
N-cyclopropyl-2-ethyl-N-methylpyrrolidine-2-carboxamide
CID 83080870

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyrrolidine-2-carboxamide?
The IUPAC name of 2-ethyl-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyrrolidine-2-carboxamide (CID 83071366) is 2-ethyl-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 2-ethyl-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 2-ethyl-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyrrolidine-2-carboxamide is CCC1(C(=O)N(C)Cc2cscn2)CCCN1.
What is the InChIKey of 2-ethyl-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyrrolidine-2-carboxamide?
The InChIKey is JXSVJAGAOUMBQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS/c1-3-12(5-4-6-14-12)11(16)15(2)7-10-8-17-9-13-10/h8-9,14H,3-7H2,1-2H3.
What are the key properties of 2-ethyl-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyrrolidine-2-carboxamide?
2-ethyl-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyrrolidine-2-carboxamide has a molecular weight of 253.37 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 83071366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).