5-oxo-1-propan-2-yl-N-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]pyrrolidine-3-carboxamide

C17H20N4O2S — CID 108770960

IUPAC5-oxo-1-propan-2-yl-N-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]pyrrolidine-3-carboxamide
SMILESCC(C)N1CC(C(=O)NCc2csc(-c3cccnc3)n2)CC1=O
InChIInChI=1S/C17H20N4O2S/c1-11(2)21-9-13(6-15(21)22)16(23)19-8-14-10-24-17(20-14)12-4-3-5-18-7-12/h3-5,7,10-11,13H,6,8-9H2,1-2H3,(H,19,23)
InChIKeySYAUYXJOIXYQKV-UHFFFAOYSA-N
MW344.44 g/mol
LogP2.08
Rot. Bonds5

About 5-oxo-1-propan-2-yl-N-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]pyrrolidine-3-carboxamide

5-oxo-1-propan-2-yl-N-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]pyrrolidine-3-carboxamide (PubChem CID 108770960) has the molecular formula C17H20N4O2S and a molecular weight of 344.44 g/mol. Its IUPAC name is 5-oxo-1-propan-2-yl-N-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name5-oxo-1-propan-2-yl-N-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]pyrrolidine-3-carboxamide
PubChem CID108770960
Molecular FormulaC17H20N4O2S
Molecular Weight344.44 g/mol
Exact Mass344.13
IUPAC Name5-oxo-1-propan-2-yl-N-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]pyrrolidine-3-carboxamide
SMILESCC(C)N1CC(C(=O)NCc2csc(-c3cccnc3)n2)CC1=O
InChIInChI=1S/C17H20N4O2S/c1-11(2)21-9-13(6-15(21)22)16(23)19-8-14-10-24-17(20-14)12-4-3-5-18-7-12/h3-5,7,10-11,13H,6,8-9H2,1-2H3,(H,19,23)
InChIKeySYAUYXJOIXYQKV-UHFFFAOYSA-N
XLogP2.08
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-oxo-1-(1-phenylethyl)-N-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]pyrrolidine-3-carboxamide
CID 108770953
1-[3-(dimethylamino)propyl]-5-oxo-N-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]pyrrolidine-3-carboxamide
CID 108810031
methyl 2-[2-oxo-4-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methylcarbamoyl]pyrrolidin-1-yl]benzoate
CID 108770958
(3S)-5-oxo-1-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]pyrrolidine-3-carboxylic acid
CID 95128901
1-cyclopentyl-5-oxo-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolidine-3-carboxamide
CID 78833389
(3R)-1-[2-(dimethylamino)ethyl]-5-oxo-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolidine-3-carboxamide
CID 124508095
N-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]ethanamine
CID 61280471
1-(2-ethyl-6-methylphenyl)-5-oxo-N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]pyrrolidine-3-carboxamide
CID 108771124
N-[2-(methylamino)ethyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 119502386
1-butan-2-yl-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 113182112
1-methyl-5-oxo-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide
CID 91821431
1-(3-bromophenyl)-5-oxo-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidine-3-carboxamide
CID 56557688

Frequently Asked Questions

What is the IUPAC name of 5-oxo-1-propan-2-yl-N-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]pyrrolidine-3-carboxamide?
The IUPAC name of 5-oxo-1-propan-2-yl-N-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]pyrrolidine-3-carboxamide (CID 108770960) is 5-oxo-1-propan-2-yl-N-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 5-oxo-1-propan-2-yl-N-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 5-oxo-1-propan-2-yl-N-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]pyrrolidine-3-carboxamide is CC(C)N1CC(C(=O)NCc2csc(-c3cccnc3)n2)CC1=O.
What is the InChIKey of 5-oxo-1-propan-2-yl-N-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]pyrrolidine-3-carboxamide?
The InChIKey is SYAUYXJOIXYQKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2S/c1-11(2)21-9-13(6-15(21)22)16(23)19-8-14-10-24-17(20-14)12-4-3-5-18-7-12/h3-5,7,10-11,13H,6,8-9H2,1-2H3,(H,19,23).
What are the key properties of 5-oxo-1-propan-2-yl-N-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]pyrrolidine-3-carboxamide?
5-oxo-1-propan-2-yl-N-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]pyrrolidine-3-carboxamide has a molecular weight of 344.44 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-1-propan-2-yl-N-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 108770960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).