4-cyclopropyl-2-(3-methylimidazol-4-yl)-1,3-thiazole-5-carboxylic acid

C11H11N3O2S — CID 114360260

IUPAC4-cyclopropyl-2-(3-methylimidazol-4-yl)-1,3-thiazole-5-carboxylic acid
SMILESCn1cncc1-c1nc(C2CC2)c(C(=O)O)s1
InChIInChI=1S/C11H11N3O2S/c1-14-5-12-4-7(14)10-13-8(6-2-3-6)9(17-10)11(15)16/h4-6H,2-3H2,1H3,(H,15,16)
InChIKeyFZOJEUSCMHXIOX-UHFFFAOYSA-N
MW249.29 g/mol
LogP2.12
Rot. Bonds3

About 4-cyclopropyl-2-(3-methylimidazol-4-yl)-1,3-thiazole-5-carboxylic acid

4-cyclopropyl-2-(3-methylimidazol-4-yl)-1,3-thiazole-5-carboxylic acid (PubChem CID 114360260) has the molecular formula C11H11N3O2S and a molecular weight of 249.29 g/mol. Its IUPAC name is 4-cyclopropyl-2-(3-methylimidazol-4-yl)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-cyclopropyl-2-(3-methylimidazol-4-yl)-1,3-thiazole-5-carboxylic acid
PubChem CID114360260
Molecular FormulaC11H11N3O2S
Molecular Weight249.29 g/mol
Exact Mass249.06
IUPAC Name4-cyclopropyl-2-(3-methylimidazol-4-yl)-1,3-thiazole-5-carboxylic acid
SMILESCn1cncc1-c1nc(C2CC2)c(C(=O)O)s1
InChIInChI=1S/C11H11N3O2S/c1-14-5-12-4-7(14)10-13-8(6-2-3-6)9(17-10)11(15)16/h4-6H,2-3H2,1H3,(H,15,16)
InChIKeyFZOJEUSCMHXIOX-UHFFFAOYSA-N
XLogP2.12
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.29
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-2-(3-methylimidazol-4-yl)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-cyclopropyl-2-(3-methylimidazol-4-yl)-1,3-thiazole-5-carboxylic acid (CID 114360260) is 4-cyclopropyl-2-(3-methylimidazol-4-yl)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-cyclopropyl-2-(3-methylimidazol-4-yl)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-cyclopropyl-2-(3-methylimidazol-4-yl)-1,3-thiazole-5-carboxylic acid is Cn1cncc1-c1nc(C2CC2)c(C(=O)O)s1.
What is the InChIKey of 4-cyclopropyl-2-(3-methylimidazol-4-yl)-1,3-thiazole-5-carboxylic acid?
The InChIKey is FZOJEUSCMHXIOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2S/c1-14-5-12-4-7(14)10-13-8(6-2-3-6)9(17-10)11(15)16/h4-6H,2-3H2,1H3,(H,15,16).
What are the key properties of 4-cyclopropyl-2-(3-methylimidazol-4-yl)-1,3-thiazole-5-carboxylic acid?
4-cyclopropyl-2-(3-methylimidazol-4-yl)-1,3-thiazole-5-carboxylic acid has a molecular weight of 249.29 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-2-(3-methylimidazol-4-yl)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 114360260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).