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

C11H15N3O2S — CID 78923912

IUPACN-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1csc(C(C)NC(=O)C2CNC(=O)C2)n1
InChIInChI=1S/C11H15N3O2S/c1-6-5-17-11(13-6)7(2)14-10(16)8-3-9(15)12-4-8/h5,7-8H,3-4H2,1-2H3,(H,12,15)(H,14,16)
InChIKeyWZJZSDNSHMJTNB-UHFFFAOYSA-N
MW253.33 g/mol
LogP0.76
Rot. Bonds3

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

N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 78923912) has the molecular formula C11H15N3O2S and a molecular weight of 253.33 g/mol. Its IUPAC name is N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID78923912
Molecular FormulaC11H15N3O2S
Molecular Weight253.33 g/mol
Exact Mass253.09
IUPAC NameN-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1csc(C(C)NC(=O)C2CNC(=O)C2)n1
InChIInChI=1S/C11H15N3O2S/c1-6-5-17-11(13-6)7(2)14-10(16)8-3-9(15)12-4-8/h5,7-8H,3-4H2,1-2H3,(H,12,15)(H,14,16)
InChIKeyWZJZSDNSHMJTNB-UHFFFAOYSA-N
XLogP0.76
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.33
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-5-oxopiperazine-2-carboxamide
CID 107436715
1-[1-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]-5-oxopiperazine-2-carboxylic acid
CID 107438858
(2R)-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]piperidine-2-carboxamide
CID 113267552
(3S)-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 104896578
5-oxo-N-[1-(4-propan-2-ylphenyl)ethyl]pyrrolidine-3-carboxamide
CID 78981922
2-amino-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]propanamide;dihydrochloride
CID 119875872
3-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]piperidine-2-carboxamide
CID 107068241
N-(3-methylbutan-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 78981655
N-[1-(3,4-dichlorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 78981822
2-methyl-3-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]-3-oxopropanoic acid
CID 114898569
6-methyl-N-[4-[1-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]cyclohexyl]-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 169421088
2-methyl-3-(methylamino)-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]propanamide;dihydrochloride
CID 119875883

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide (CID 78923912) is N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide is Cc1csc(C(C)NC(=O)C2CNC(=O)C2)n1.
What is the InChIKey of N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is WZJZSDNSHMJTNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2S/c1-6-5-17-11(13-6)7(2)14-10(16)8-3-9(15)12-4-8/h5,7-8H,3-4H2,1-2H3,(H,12,15)(H,14,16).
What are the key properties of N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide?
N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 253.33 g/mol, XLogP of 0.76, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 78923912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).