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

C9H11N3O2S — CID 110689742

IUPACN-(4-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-2-carboxamide
SMILESCc1csc(NC(=O)C2CCC(=O)N2)n1
InChIInChI=1S/C9H11N3O2S/c1-5-4-15-9(10-5)12-8(14)6-2-3-7(13)11-6/h4,6H,2-3H2,1H3,(H,11,13)(H,10,12,14)
InChIKeyKOZLYFHRIAVSLE-UHFFFAOYSA-N
MW225.27 g/mol
LogP0.67
Rot. Bonds2

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

N-(4-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-2-carboxamide (PubChem CID 110689742) has the molecular formula C9H11N3O2S and a molecular weight of 225.27 g/mol. Its IUPAC name is N-(4-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(4-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-2-carboxamide
PubChem CID110689742
Molecular FormulaC9H11N3O2S
Molecular Weight225.27 g/mol
Exact Mass225.06
IUPAC NameN-(4-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-2-carboxamide
SMILESCc1csc(NC(=O)C2CCC(=O)N2)n1
InChIInChI=1S/C9H11N3O2S/c1-5-4-15-9(10-5)12-8(14)6-2-3-7(13)11-6/h4,6H,2-3H2,1H3,(H,11,13)(H,10,12,14)
InChIKeyKOZLYFHRIAVSLE-UHFFFAOYSA-N
XLogP0.67
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-5-oxopyrrolidine-2-carboxamide
CID 75417416
(2R)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 94177447
N-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 18072813
N-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]-5-oxopyrrolidine-2-carboxamide
CID 112767500
ethane;N-(4-methyl-1,3-thiazol-2-yl)cyclohexanecarboxamide
CID 143608697
trans-(1S,3S)-1-N,3-N-bis(4-methyl-1,3-thiazol-2-yl)cyclohexane-1,3-dicarboxamide
CID 52526965
(2R)-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-5-oxopyrrolidine-2-carboxamide
CID 124504924
(2S)-5-oxo-N-[4-[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl]-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide
CID 42590179
N-[4-[2-(2,4-dimethoxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-5-oxopyrrolidine-2-carboxamide
CID 16881445
N-[4-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]-5-oxopyrrolidine-2-carboxamide
CID 16881409
(2S)-N-(4-methyl-1,3-thiazol-2-yl)oxolane-2-carboxamide
CID 1086809
N-[4-[2-(3-chloroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-5-oxopyrrolidine-2-carboxamide
CID 16881421

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-2-carboxamide (CID 110689742) is N-(4-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for N-(4-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for N-(4-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-2-carboxamide is Cc1csc(NC(=O)C2CCC(=O)N2)n1.
What is the InChIKey of N-(4-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-2-carboxamide?
The InChIKey is KOZLYFHRIAVSLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O2S/c1-5-4-15-9(10-5)12-8(14)6-2-3-7(13)11-6/h4,6H,2-3H2,1H3,(H,11,13)(H,10,12,14).
What are the key properties of N-(4-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-2-carboxamide?
N-(4-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-2-carboxamide has a molecular weight of 225.27 g/mol, XLogP of 0.67, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 110689742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).