1-[2-oxo-2-[2-(1,3-thiazol-2-yl)ethylamino]ethyl]triazole-4-carboxylic acid

C10H11N5O3S — CID 66291007

IUPAC1-[2-oxo-2-[2-(1,3-thiazol-2-yl)ethylamino]ethyl]triazole-4-carboxylic acid
SMILESO=C(Cn1cc(C(=O)O)nn1)NCCc1nccs1
InChIInChI=1S/C10H11N5O3S/c16-8(11-2-1-9-12-3-4-19-9)6-15-5-7(10(17)18)13-14-15/h3-5H,1-2,6H2,(H,11,16)(H,17,18)
InChIKeyHHTPBGQSTDYSBF-UHFFFAOYSA-N
MW281.30 g/mol
LogP-0.21
Rot. Bonds6

About 1-[2-oxo-2-[2-(1,3-thiazol-2-yl)ethylamino]ethyl]triazole-4-carboxylic acid

1-[2-oxo-2-[2-(1,3-thiazol-2-yl)ethylamino]ethyl]triazole-4-carboxylic acid (PubChem CID 66291007) has the molecular formula C10H11N5O3S and a molecular weight of 281.30 g/mol. Its IUPAC name is 1-[2-oxo-2-[2-(1,3-thiazol-2-yl)ethylamino]ethyl]triazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-oxo-2-[2-(1,3-thiazol-2-yl)ethylamino]ethyl]triazole-4-carboxylic acid
PubChem CID66291007
Molecular FormulaC10H11N5O3S
Molecular Weight281.30 g/mol
Exact Mass281.06
IUPAC Name1-[2-oxo-2-[2-(1,3-thiazol-2-yl)ethylamino]ethyl]triazole-4-carboxylic acid
SMILESO=C(Cn1cc(C(=O)O)nn1)NCCc1nccs1
InChIInChI=1S/C10H11N5O3S/c16-8(11-2-1-9-12-3-4-19-9)6-15-5-7(10(17)18)13-14-15/h3-5H,1-2,6H2,(H,11,16)(H,17,18)
InChIKeyHHTPBGQSTDYSBF-UHFFFAOYSA-N
XLogP-0.21
TPSA110.00 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.30
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-[2-[2-(5-chlorothiophen-2-yl)ethylamino]-2-oxoethyl]triazole-4-carboxylic acid
CID 106041563
1-[2-oxo-2-(2-sulfamoylethylamino)ethyl]triazole-4-carboxylic acid
CID 66288282
1-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]triazole-4-carboxamide
CID 110461892
1-[2-oxo-2-(2-piperazin-1-ylethylamino)ethyl]triazole-4-carboxylic acid
CID 66290153
1-[2-[[3-(butan-2-ylamino)-3-oxopropyl]amino]-2-oxoethyl]triazole-4-carboxylic acid
CID 66288710
2-[4-(1,3-thiazol-2-ylcarbamoyl)triazol-1-yl]acetic acid
CID 66290806
1-[2-oxo-2-(pyridin-4-ylamino)ethyl]triazole-4-carboxylic acid
CID 66288893
1-[2-[[2-(cyclopropylamino)-2-oxoethyl]amino]-2-oxoethyl]triazole-4-carboxylic acid
CID 66288901
1-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]triazole-4-carboxylic acid
CID 62059422
1-[2-[(1-methylpyrazol-3-yl)methylamino]-2-oxoethyl]triazole-4-carboxylic acid
CID 82874220
1-[2-[(5-bromothiophen-2-yl)methylamino]-2-oxoethyl]triazole-4-carboxylic acid
CID 66289559
1-[2-(cyclohexylamino)-2-oxoethyl]triazole-4-carboxylic acid
CID 55134032

Frequently Asked Questions

What is the IUPAC name of 1-[2-oxo-2-[2-(1,3-thiazol-2-yl)ethylamino]ethyl]triazole-4-carboxylic acid?
The IUPAC name of 1-[2-oxo-2-[2-(1,3-thiazol-2-yl)ethylamino]ethyl]triazole-4-carboxylic acid (CID 66291007) is 1-[2-oxo-2-[2-(1,3-thiazol-2-yl)ethylamino]ethyl]triazole-4-carboxylic acid.
What is the SMILES notation for 1-[2-oxo-2-[2-(1,3-thiazol-2-yl)ethylamino]ethyl]triazole-4-carboxylic acid?
The canonical SMILES for 1-[2-oxo-2-[2-(1,3-thiazol-2-yl)ethylamino]ethyl]triazole-4-carboxylic acid is O=C(Cn1cc(C(=O)O)nn1)NCCc1nccs1.
What is the InChIKey of 1-[2-oxo-2-[2-(1,3-thiazol-2-yl)ethylamino]ethyl]triazole-4-carboxylic acid?
The InChIKey is HHTPBGQSTDYSBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O3S/c16-8(11-2-1-9-12-3-4-19-9)6-15-5-7(10(17)18)13-14-15/h3-5H,1-2,6H2,(H,11,16)(H,17,18).
What are the key properties of 1-[2-oxo-2-[2-(1,3-thiazol-2-yl)ethylamino]ethyl]triazole-4-carboxylic acid?
1-[2-oxo-2-[2-(1,3-thiazol-2-yl)ethylamino]ethyl]triazole-4-carboxylic acid has a molecular weight of 281.30 g/mol, XLogP of -0.21, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-oxo-2-[2-(1,3-thiazol-2-yl)ethylamino]ethyl]triazole-4-carboxylic acid is sourced from PubChem (CID 66291007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).