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

C9H10N6O3S — CID 66373261

IUPAC2-[1-[[2-(tetrazol-1-yl)acetyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid
SMILESCC(NC(=O)Cn1cnnn1)c1nc(C(=O)O)cs1
InChIInChI=1S/C9H10N6O3S/c1-5(8-12-6(3-19-8)9(17)18)11-7(16)2-15-4-10-13-14-15/h3-5H,2H2,1H3,(H,11,16)(H,17,18)
InChIKeyYQOWGMCYEXWIIV-UHFFFAOYSA-N
MW282.29 g/mol
LogP-0.29
Rot. Bonds5

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

2-[1-[[2-(tetrazol-1-yl)acetyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid (PubChem CID 66373261) has the molecular formula C9H10N6O3S and a molecular weight of 282.29 g/mol. Its IUPAC name is 2-[1-[[2-(tetrazol-1-yl)acetyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[1-[[2-(tetrazol-1-yl)acetyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid
PubChem CID66373261
Molecular FormulaC9H10N6O3S
Molecular Weight282.29 g/mol
Exact Mass282.05
IUPAC Name2-[1-[[2-(tetrazol-1-yl)acetyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid
SMILESCC(NC(=O)Cn1cnnn1)c1nc(C(=O)O)cs1
InChIInChI=1S/C9H10N6O3S/c1-5(8-12-6(3-19-8)9(17)18)11-7(16)2-15-4-10-13-14-15/h3-5H,2H2,1H3,(H,11,16)(H,17,18)
InChIKeyYQOWGMCYEXWIIV-UHFFFAOYSA-N
XLogP-0.29
TPSA122.89 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.29
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[[2-(tetrazol-1-yl)acetyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[1-[[2-(tetrazol-1-yl)acetyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid (CID 66373261) is 2-[1-[[2-(tetrazol-1-yl)acetyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[1-[[2-(tetrazol-1-yl)acetyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[1-[[2-(tetrazol-1-yl)acetyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid is CC(NC(=O)Cn1cnnn1)c1nc(C(=O)O)cs1.
What is the InChIKey of 2-[1-[[2-(tetrazol-1-yl)acetyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is YQOWGMCYEXWIIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N6O3S/c1-5(8-12-6(3-19-8)9(17)18)11-7(16)2-15-4-10-13-14-15/h3-5H,2H2,1H3,(H,11,16)(H,17,18).
What are the key properties of 2-[1-[[2-(tetrazol-1-yl)acetyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid?
2-[1-[[2-(tetrazol-1-yl)acetyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 282.29 g/mol, XLogP of -0.29, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[2-(tetrazol-1-yl)acetyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 66373261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).