5-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-1,3-thiazole-4-carboxylic acid

C9H11N3O3S — CID 106259399

IUPAC5-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-1,3-thiazole-4-carboxylic acid
SMILESCN1CCC(Nc2scnc2C(=O)O)C1=O
InChIInChI=1S/C9H11N3O3S/c1-12-3-2-5(8(12)13)11-7-6(9(14)15)10-4-16-7/h4-5,11H,2-3H2,1H3,(H,14,15)
InChIKeyJNWRZAKLXTZPHM-UHFFFAOYSA-N
MW241.27 g/mol
LogP0.48
Rot. Bonds3

About 5-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-1,3-thiazole-4-carboxylic acid

5-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-1,3-thiazole-4-carboxylic acid (PubChem CID 106259399) has the molecular formula C9H11N3O3S and a molecular weight of 241.27 g/mol. Its IUPAC name is 5-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-1,3-thiazole-4-carboxylic acid
PubChem CID106259399
Molecular FormulaC9H11N3O3S
Molecular Weight241.27 g/mol
Exact Mass241.05
IUPAC Name5-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-1,3-thiazole-4-carboxylic acid
SMILESCN1CCC(Nc2scnc2C(=O)O)C1=O
InChIInChI=1S/C9H11N3O3S/c1-12-3-2-5(8(12)13)11-7-6(9(14)15)10-4-16-7/h4-5,11H,2-3H2,1H3,(H,14,15)
InChIKeyJNWRZAKLXTZPHM-UHFFFAOYSA-N
XLogP0.48
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.27
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(2-methylcyclobutyl)amino]-1,3-thiazole-4-carboxylic acid
CID 130556460
5-[(2,2-dimethylcyclopropyl)amino]-1,3-thiazole-4-carboxylic acid
CID 64629693
5-[(2-methoxycyclopentyl)amino]-1,3-thiazole-4-carboxylic acid
CID 64630495
4-[(1-methyl-2-oxopyrrolidin-3-yl)amino]benzoic acid
CID 106257103
5-[(2-methyloxolan-3-yl)amino]-1,3-thiazole-4-carboxylic acid
CID 82737354
5-fluoro-2-[(1-methyl-2-oxopyrrolidin-3-yl)amino]pyridine-3-carboxylic acid
CID 106257124
5-[(6-oxopiperidin-3-yl)amino]-1,3-thiazole-4-carboxylic acid
CID 64629285
3-[(5-chloro-1,3-thiazol-2-yl)amino]-1-methylpyrrolidin-2-one
CID 130718526
1-methyl-3-[(4-phenyl-1,3-thiazol-2-yl)amino]pyrrolidin-2-one
CID 71921220
5-[(2-methylcyclopentyl)methylamino]-1,3-thiazole-4-carboxylic acid
CID 107420798
3-methyl-4-[(1-methyl-2-oxopyrrolidin-3-yl)amino]benzoic acid
CID 114165050
(3S)-1-methyl-3-(methylamino)pyrrolidin-2-one
CID 94236128

Frequently Asked Questions

What is the IUPAC name of 5-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 5-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-1,3-thiazole-4-carboxylic acid (CID 106259399) is 5-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 5-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 5-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-1,3-thiazole-4-carboxylic acid is CN1CCC(Nc2scnc2C(=O)O)C1=O.
What is the InChIKey of 5-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-1,3-thiazole-4-carboxylic acid?
The InChIKey is JNWRZAKLXTZPHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O3S/c1-12-3-2-5(8(12)13)11-7-6(9(14)15)10-4-16-7/h4-5,11H,2-3H2,1H3,(H,14,15).
What are the key properties of 5-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-1,3-thiazole-4-carboxylic acid?
5-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-1,3-thiazole-4-carboxylic acid has a molecular weight of 241.27 g/mol, XLogP of 0.48, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 106259399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).