2-[2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid

C12H12N4O4S — CID 66375434

IUPAC2-[2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid
SMILESO=C(Cn1cccnc1=O)NCCc1nc(C(=O)O)cs1
InChIInChI=1S/C12H12N4O4S/c17-9(6-16-5-1-3-14-12(16)20)13-4-2-10-15-8(7-21-10)11(18)19/h1,3,5,7H,2,4,6H2,(H,13,17)(H,18,19)
InChIKeyLTGOHHWZZSDDAJ-UHFFFAOYSA-N
MW308.32 g/mol
LogP-0.24
Rot. Bonds6

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

2-[2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid (PubChem CID 66375434) has the molecular formula C12H12N4O4S and a molecular weight of 308.32 g/mol. Its IUPAC name is 2-[2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid
PubChem CID66375434
Molecular FormulaC12H12N4O4S
Molecular Weight308.32 g/mol
Exact Mass308.06
IUPAC Name2-[2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid
SMILESO=C(Cn1cccnc1=O)NCCc1nc(C(=O)O)cs1
InChIInChI=1S/C12H12N4O4S/c17-9(6-16-5-1-3-14-12(16)20)13-4-2-10-15-8(7-21-10)11(18)19/h1,3,5,7H,2,4,6H2,(H,13,17)(H,18,19)
InChIKeyLTGOHHWZZSDDAJ-UHFFFAOYSA-N
XLogP-0.24
TPSA114.18 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.32
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid with MolForge

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Related Compounds

2-[2-(3-aminopropanoylamino)ethyl]-1,3-thiazole-4-carboxylic acid
CID 66374025
2-[2-[[2-(5-phenylpyrazol-1-yl)acetyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 167816023
N-(2-cyanoethyl)-2-(2-oxopyrimidin-1-yl)acetamide
CID 115580749
2-[2-[(2-pyridin-4-ylacetyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66375396
2-[2-(heptanoylamino)ethyl]-1,3-thiazole-4-carboxylic acid
CID 66374838
2-[2-(1H-pyrrole-2-carbonylamino)ethyl]-1,3-thiazole-4-carboxylic acid
CID 66374654
2-[2-oxo-2-(propylamino)ethyl]-1,3-thiazole-4-carboxylic acid
CID 82154993
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-(2-oxopyrimidin-1-yl)acetamide
CID 80717220
2-[2-(pent-4-enoylamino)ethyl]-1,3-thiazole-4-carboxylic acid
CID 66373116
2-[2-[[2-(2-methoxyethylamino)acetyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 79291389
N-(2-ethylbutyl)-2-(2-oxopyrimidin-1-yl)acetamide
CID 113232058
2-[2-[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66372953

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid (CID 66375434) is 2-[2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid is O=C(Cn1cccnc1=O)NCCc1nc(C(=O)O)cs1.
What is the InChIKey of 2-[2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is LTGOHHWZZSDDAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O4S/c17-9(6-16-5-1-3-14-12(16)20)13-4-2-10-15-8(7-21-10)11(18)19/h1,3,5,7H,2,4,6H2,(H,13,17)(H,18,19).
What are the key properties of 2-[2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid?
2-[2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 308.32 g/mol, XLogP of -0.24, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 66375434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).