5-propan-2-yl-[1,3]thiazolo[2,3-c][1,2,4]triazole-3-carboxylic acid

C8H9N3O2S — CID 82166660

IUPAC5-propan-2-yl-[1,3]thiazolo[2,3-c][1,2,4]triazole-3-carboxylic acid
SMILESCC(C)c1csc2nnc(C(=O)O)n12
InChIInChI=1S/C8H9N3O2S/c1-4(2)5-3-14-8-10-9-6(7(12)13)11(5)8/h3-4H,1-2H3,(H,12,13)
InChIKeyVGMDGCJXFYRDOS-UHFFFAOYSA-N
MW211.25 g/mol
LogP1.61
Rot. Bonds2

About 5-propan-2-yl-[1,3]thiazolo[2,3-c][1,2,4]triazole-3-carboxylic acid

5-propan-2-yl-[1,3]thiazolo[2,3-c][1,2,4]triazole-3-carboxylic acid (PubChem CID 82166660) has the molecular formula C8H9N3O2S and a molecular weight of 211.25 g/mol. Its IUPAC name is 5-propan-2-yl-[1,3]thiazolo[2,3-c][1,2,4]triazole-3-carboxylic acid.

Molecular Properties

Compound Name5-propan-2-yl-[1,3]thiazolo[2,3-c][1,2,4]triazole-3-carboxylic acid
PubChem CID82166660
Molecular FormulaC8H9N3O2S
Molecular Weight211.25 g/mol
Exact Mass211.04
IUPAC Name5-propan-2-yl-[1,3]thiazolo[2,3-c][1,2,4]triazole-3-carboxylic acid
SMILESCC(C)c1csc2nnc(C(=O)O)n12
InChIInChI=1S/C8H9N3O2S/c1-4(2)5-3-14-8-10-9-6(7(12)13)11(5)8/h3-4H,1-2H3,(H,12,13)
InChIKeyVGMDGCJXFYRDOS-UHFFFAOYSA-N
XLogP1.61
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.25
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(5-propan-2-yl-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)methanamine
CID 82105459
5-(2-propan-2-yloxyphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazole-3-carboxylic acid
CID 82166852
2-(3-propan-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)acetic acid
CID 82062252
3-propan-2-ylimidazo[2,1-b][1,3]thiazole-6-carboxylic acid
CID 4014477
5-(chloromethyl)-3-propan-2-ylimidazo[2,1-b][1,3]thiazole
CID 82062114
2-(6-methyl-3-propan-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)ethanamine
CID 82062556
3-propan-2-ylimidazo[5,1-b][1,3]thiazol-5-amine
CID 82468374
2-[5-(4-fluorophenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]acetic acid
CID 82166820
3,4-di(propan-2-yl)-1,3-thiazol-2-one
CID 89447089
2-(2-methylpropyl)-[1,3]thiazolo[3,2-b][1,2,4]triazole-6-carboxylic acid
CID 82473425
5-(4-bromophenyl)-3-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazole
CID 4057474
2-(propan-2-ylsulfanylmethyl)-1,3-thiazole-4-carboxylic acid
CID 65134443

Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-[1,3]thiazolo[2,3-c][1,2,4]triazole-3-carboxylic acid?
The IUPAC name of 5-propan-2-yl-[1,3]thiazolo[2,3-c][1,2,4]triazole-3-carboxylic acid (CID 82166660) is 5-propan-2-yl-[1,3]thiazolo[2,3-c][1,2,4]triazole-3-carboxylic acid.
What is the SMILES notation for 5-propan-2-yl-[1,3]thiazolo[2,3-c][1,2,4]triazole-3-carboxylic acid?
The canonical SMILES for 5-propan-2-yl-[1,3]thiazolo[2,3-c][1,2,4]triazole-3-carboxylic acid is CC(C)c1csc2nnc(C(=O)O)n12.
What is the InChIKey of 5-propan-2-yl-[1,3]thiazolo[2,3-c][1,2,4]triazole-3-carboxylic acid?
The InChIKey is VGMDGCJXFYRDOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O2S/c1-4(2)5-3-14-8-10-9-6(7(12)13)11(5)8/h3-4H,1-2H3,(H,12,13).
What are the key properties of 5-propan-2-yl-[1,3]thiazolo[2,3-c][1,2,4]triazole-3-carboxylic acid?
5-propan-2-yl-[1,3]thiazolo[2,3-c][1,2,4]triazole-3-carboxylic acid has a molecular weight of 211.25 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-[1,3]thiazolo[2,3-c][1,2,4]triazole-3-carboxylic acid is sourced from PubChem (CID 82166660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).