4-methyl-2-(4-methyl-2-oxoimidazolidin-1-yl)-1,3-thiazole-5-carboxylic acid

C9H11N3O3S — CID 66661593

IUPAC4-methyl-2-(4-methyl-2-oxoimidazolidin-1-yl)-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(N2CC(C)NC2=O)sc1C(=O)O
InChIInChI=1S/C9H11N3O3S/c1-4-3-12(8(15)10-4)9-11-5(2)6(16-9)7(13)14/h4H,3H2,1-2H3,(H,10,15)(H,13,14)
InChIKeyRTMSOGCNUUZXDH-UHFFFAOYSA-N
MW241.27 g/mol
LogP1.07
Rot. Bonds2

About 4-methyl-2-(4-methyl-2-oxoimidazolidin-1-yl)-1,3-thiazole-5-carboxylic acid

4-methyl-2-(4-methyl-2-oxoimidazolidin-1-yl)-1,3-thiazole-5-carboxylic acid (PubChem CID 66661593) has the molecular formula C9H11N3O3S and a molecular weight of 241.27 g/mol. Its IUPAC name is 4-methyl-2-(4-methyl-2-oxoimidazolidin-1-yl)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-methyl-2-(4-methyl-2-oxoimidazolidin-1-yl)-1,3-thiazole-5-carboxylic acid
PubChem CID66661593
Molecular FormulaC9H11N3O3S
Molecular Weight241.27 g/mol
Exact Mass241.05
IUPAC Name4-methyl-2-(4-methyl-2-oxoimidazolidin-1-yl)-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(N2CC(C)NC2=O)sc1C(=O)O
InChIInChI=1S/C9H11N3O3S/c1-4-3-12(8(15)10-4)9-11-5(2)6(16-9)7(13)14/h4H,3H2,1-2H3,(H,10,15)(H,13,14)
InChIKeyRTMSOGCNUUZXDH-UHFFFAOYSA-N
XLogP1.07
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.27
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-benzyl-2-oxoimidazolidin-1-yl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 59481304
(4S)-4-methyl-1-[4-methyl-5-(4-methyl-1,3-dioxetan-2-yl)-1,3-thiazol-2-yl]imidazolidin-2-one
CID 67208745
4-methyl-2-(2-oxo-1,3-diazinan-1-yl)-1,3-thiazole-5-carboxylic acid
CID 68882034
4-methyl-2-(2-methyl-3-oxopiperazin-1-yl)-1,3-thiazole-5-carboxylic acid
CID 80570135
2-(3-ethyl-2-oxoimidazolidin-1-yl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 58031478
2-[3-(cyclopentylmethyl)-2-oxoimidazolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 58031441
4-methyl-2-(4-methylazepan-1-yl)-1,3-thiazole-5-carboxylic acid
CID 63626853
2-(2-ethyl-5-methylpyrrolidin-1-yl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 83221733
2-(4-ethoxypiperidin-1-yl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 62765118
ethyl 2-[(4R)-4-benzyl-2-oxoimidazolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
CID 73213190
4-methyl-2-(3-methyl-5-oxo-4H-pyrazol-1-yl)-1,3-thiazole-5-carboxylic acid
CID 22300128
4-methyl-2-(3-propoxypiperidin-1-yl)-1,3-thiazole-5-carboxylic acid
CID 62764272

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(4-methyl-2-oxoimidazolidin-1-yl)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-methyl-2-(4-methyl-2-oxoimidazolidin-1-yl)-1,3-thiazole-5-carboxylic acid (CID 66661593) is 4-methyl-2-(4-methyl-2-oxoimidazolidin-1-yl)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-methyl-2-(4-methyl-2-oxoimidazolidin-1-yl)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-methyl-2-(4-methyl-2-oxoimidazolidin-1-yl)-1,3-thiazole-5-carboxylic acid is Cc1nc(N2CC(C)NC2=O)sc1C(=O)O.
What is the InChIKey of 4-methyl-2-(4-methyl-2-oxoimidazolidin-1-yl)-1,3-thiazole-5-carboxylic acid?
The InChIKey is RTMSOGCNUUZXDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O3S/c1-4-3-12(8(15)10-4)9-11-5(2)6(16-9)7(13)14/h4H,3H2,1-2H3,(H,10,15)(H,13,14).
What are the key properties of 4-methyl-2-(4-methyl-2-oxoimidazolidin-1-yl)-1,3-thiazole-5-carboxylic acid?
4-methyl-2-(4-methyl-2-oxoimidazolidin-1-yl)-1,3-thiazole-5-carboxylic acid has a molecular weight of 241.27 g/mol, XLogP of 1.07, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(4-methyl-2-oxoimidazolidin-1-yl)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 66661593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).