2-[2-(2-oxoimidazolidin-1-yl)ethyl]-1,3-thiazole-4-carboxylic acid

C9H11N3O3S — CID 66372505

IUPAC2-[2-(2-oxoimidazolidin-1-yl)ethyl]-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(CCN2CCNC2=O)n1
InChIInChI=1S/C9H11N3O3S/c13-8(14)6-5-16-7(11-6)1-3-12-4-2-10-9(12)15/h5H,1-4H2,(H,10,15)(H,13,14)
InChIKeyGWAITYQESSBONJ-UHFFFAOYSA-N
MW241.27 g/mol
LogP0.41
Rot. Bonds4

About 2-[2-(2-oxoimidazolidin-1-yl)ethyl]-1,3-thiazole-4-carboxylic acid

2-[2-(2-oxoimidazolidin-1-yl)ethyl]-1,3-thiazole-4-carboxylic acid (PubChem CID 66372505) has the molecular formula C9H11N3O3S and a molecular weight of 241.27 g/mol. Its IUPAC name is 2-[2-(2-oxoimidazolidin-1-yl)ethyl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[2-(2-oxoimidazolidin-1-yl)ethyl]-1,3-thiazole-4-carboxylic acid
PubChem CID66372505
Molecular FormulaC9H11N3O3S
Molecular Weight241.27 g/mol
Exact Mass241.05
IUPAC Name2-[2-(2-oxoimidazolidin-1-yl)ethyl]-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(CCN2CCNC2=O)n1
InChIInChI=1S/C9H11N3O3S/c13-8(14)6-5-16-7(11-6)1-3-12-4-2-10-9(12)15/h5H,1-4H2,(H,10,15)(H,13,14)
InChIKeyGWAITYQESSBONJ-UHFFFAOYSA-N
XLogP0.41
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.27
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(2-oxopyrrolidin-1-yl)ethyl]-1,3-thiazole-4-carboxylic acid
CID 66372883
2-[2-(1,2,4-triazol-4-yl)ethyl]-1,3-thiazole-4-carboxylic acid
CID 66372831
2-[2-(2-azaspiro[3.4]octan-2-yl)ethyl]-1,3-thiazole-4-carboxylic acid
CID 79689749
2-[2-(3-tert-butylazetidin-1-yl)ethyl]-1,3-thiazole-4-carboxylic acid
CID 79688496
2-[2-[(3-oxo-1,4-diazepane-1-carbonyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66375124
2-[(2-oxopyrrolidin-1-yl)methyl]-1,3-thiazole-4-carboxylic acid
CID 66378766
2-[(3,5-dioxo-1,2,4-triazolidin-4-yl)methyl]-1,3-thiazole-4-carboxylic acid
CID 107409527
2-[2-(morpholine-4-carbonylamino)ethyl]-1,3-thiazole-4-carboxylic acid
CID 66373497
2-[2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66374911
2-(2-morpholin-4-ylethyl)-1,3-thiazole-4-carboxamide
CID 141208836
2-[(cyclopent-3-en-1-ylcarbamoylamino)methyl]-1,3-thiazole-4-carboxylic acid
CID 113475823
2-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazole-4-carboxylic acid
CID 82154968

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-oxoimidazolidin-1-yl)ethyl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[2-(2-oxoimidazolidin-1-yl)ethyl]-1,3-thiazole-4-carboxylic acid (CID 66372505) is 2-[2-(2-oxoimidazolidin-1-yl)ethyl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[2-(2-oxoimidazolidin-1-yl)ethyl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[2-(2-oxoimidazolidin-1-yl)ethyl]-1,3-thiazole-4-carboxylic acid is O=C(O)c1csc(CCN2CCNC2=O)n1.
What is the InChIKey of 2-[2-(2-oxoimidazolidin-1-yl)ethyl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is GWAITYQESSBONJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O3S/c13-8(14)6-5-16-7(11-6)1-3-12-4-2-10-9(12)15/h5H,1-4H2,(H,10,15)(H,13,14).
What are the key properties of 2-[2-(2-oxoimidazolidin-1-yl)ethyl]-1,3-thiazole-4-carboxylic acid?
2-[2-(2-oxoimidazolidin-1-yl)ethyl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 241.27 g/mol, XLogP of 0.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-oxoimidazolidin-1-yl)ethyl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 66372505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).