2-(1-methyl-2,5-diphenylimidazol-4-yl)-1,3-thiazole-4-carboxylic acid

C20H15N3O2S — CID 72543866

IUPAC2-(1-methyl-2,5-diphenylimidazol-4-yl)-1,3-thiazole-4-carboxylic acid
SMILESCn1c(-c2ccccc2)nc(-c2nc(C(=O)O)cs2)c1-c1ccccc1
InChIInChI=1S/C20H15N3O2S/c1-23-17(13-8-4-2-5-9-13)16(19-21-15(12-26-19)20(24)25)22-18(23)14-10-6-3-7-11-14/h2-12H,1H3,(H,24,25)
InChIKeyUQYUNIKJXTZLEZ-UHFFFAOYSA-N
MW361.43 g/mol
LogP4.58
Rot. Bonds4

About 2-(1-methyl-2,5-diphenylimidazol-4-yl)-1,3-thiazole-4-carboxylic acid

2-(1-methyl-2,5-diphenylimidazol-4-yl)-1,3-thiazole-4-carboxylic acid (PubChem CID 72543866) has the molecular formula C20H15N3O2S and a molecular weight of 361.43 g/mol. Its IUPAC name is 2-(1-methyl-2,5-diphenylimidazol-4-yl)-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(1-methyl-2,5-diphenylimidazol-4-yl)-1,3-thiazole-4-carboxylic acid
PubChem CID72543866
Molecular FormulaC20H15N3O2S
Molecular Weight361.43 g/mol
Exact Mass361.09
IUPAC Name2-(1-methyl-2,5-diphenylimidazol-4-yl)-1,3-thiazole-4-carboxylic acid
SMILESCn1c(-c2ccccc2)nc(-c2nc(C(=O)O)cs2)c1-c1ccccc1
InChIInChI=1S/C20H15N3O2S/c1-23-17(13-8-4-2-5-9-13)16(19-21-15(12-26-19)20(24)25)22-18(23)14-10-6-3-7-11-14/h2-12H,1H3,(H,24,25)
InChIKeyUQYUNIKJXTZLEZ-UHFFFAOYSA-N
XLogP4.58
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.43
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methyl-2,5-diphenylimidazol-4-yl)-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-(1-methyl-2,5-diphenylimidazol-4-yl)-1,3-thiazole-4-carboxylic acid (CID 72543866) is 2-(1-methyl-2,5-diphenylimidazol-4-yl)-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-(1-methyl-2,5-diphenylimidazol-4-yl)-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-(1-methyl-2,5-diphenylimidazol-4-yl)-1,3-thiazole-4-carboxylic acid is Cn1c(-c2ccccc2)nc(-c2nc(C(=O)O)cs2)c1-c1ccccc1.
What is the InChIKey of 2-(1-methyl-2,5-diphenylimidazol-4-yl)-1,3-thiazole-4-carboxylic acid?
The InChIKey is UQYUNIKJXTZLEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O2S/c1-23-17(13-8-4-2-5-9-13)16(19-21-15(12-26-19)20(24)25)22-18(23)14-10-6-3-7-11-14/h2-12H,1H3,(H,24,25).
What are the key properties of 2-(1-methyl-2,5-diphenylimidazol-4-yl)-1,3-thiazole-4-carboxylic acid?
2-(1-methyl-2,5-diphenylimidazol-4-yl)-1,3-thiazole-4-carboxylic acid has a molecular weight of 361.43 g/mol, XLogP of 4.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyl-2,5-diphenylimidazol-4-yl)-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 72543866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).