2-imidazol-1-yl-4-methyl-1,3-thiazole-5-carboxylic acid

C8H7N3O2S — CID 51048808

IUPAC2-imidazol-1-yl-4-methyl-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(-n2ccnc2)sc1C(=O)O
InChIInChI=1S/C8H7N3O2S/c1-5-6(7(12)13)14-8(10-5)11-3-2-9-4-11/h2-4H,1H3,(H,12,13)
InChIKeyGJUVOGHFQDCUSZ-UHFFFAOYSA-N
MW209.23 g/mol
LogP1.34
Rot. Bonds2

About 2-imidazol-1-yl-4-methyl-1,3-thiazole-5-carboxylic acid

2-imidazol-1-yl-4-methyl-1,3-thiazole-5-carboxylic acid (PubChem CID 51048808) has the molecular formula C8H7N3O2S and a molecular weight of 209.23 g/mol. Its IUPAC name is 2-imidazol-1-yl-4-methyl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-imidazol-1-yl-4-methyl-1,3-thiazole-5-carboxylic acid
PubChem CID51048808
Molecular FormulaC8H7N3O2S
Molecular Weight209.23 g/mol
Exact Mass209.03
IUPAC Name2-imidazol-1-yl-4-methyl-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(-n2ccnc2)sc1C(=O)O
InChIInChI=1S/C8H7N3O2S/c1-5-6(7(12)13)14-8(10-5)11-3-2-9-4-11/h2-4H,1H3,(H,12,13)
InChIKeyGJUVOGHFQDCUSZ-UHFFFAOYSA-N
XLogP1.34
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.23
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-imidazol-1-yl-4-methyl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-imidazol-1-yl-4-methyl-1,3-thiazole-5-carboxylic acid (CID 51048808) is 2-imidazol-1-yl-4-methyl-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-imidazol-1-yl-4-methyl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-imidazol-1-yl-4-methyl-1,3-thiazole-5-carboxylic acid is Cc1nc(-n2ccnc2)sc1C(=O)O.
What is the InChIKey of 2-imidazol-1-yl-4-methyl-1,3-thiazole-5-carboxylic acid?
The InChIKey is GJUVOGHFQDCUSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O2S/c1-5-6(7(12)13)14-8(10-5)11-3-2-9-4-11/h2-4H,1H3,(H,12,13).
What are the key properties of 2-imidazol-1-yl-4-methyl-1,3-thiazole-5-carboxylic acid?
2-imidazol-1-yl-4-methyl-1,3-thiazole-5-carboxylic acid has a molecular weight of 209.23 g/mol, XLogP of 1.34, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazol-1-yl-4-methyl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 51048808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).