5-(4-methoxybenzoyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid

C14H10N2O4S — CID 68514204

IUPAC5-(4-methoxybenzoyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid
SMILESCOc1ccc(C(=O)c2cnc3sc(C(=O)O)cn23)cc1
InChIInChI=1S/C14H10N2O4S/c1-20-9-4-2-8(3-5-9)12(17)10-6-15-14-16(10)7-11(21-14)13(18)19/h2-7H,1H3,(H,18,19)
InChIKeyIFGOUVYKAWEXNC-UHFFFAOYSA-N
MW302.31 g/mol
LogP2.33
Rot. Bonds4

About 5-(4-methoxybenzoyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid

5-(4-methoxybenzoyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid (PubChem CID 68514204) has the molecular formula C14H10N2O4S and a molecular weight of 302.31 g/mol. Its IUPAC name is 5-(4-methoxybenzoyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid.

Molecular Properties

Compound Name5-(4-methoxybenzoyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid
PubChem CID68514204
Molecular FormulaC14H10N2O4S
Molecular Weight302.31 g/mol
Exact Mass302.04
IUPAC Name5-(4-methoxybenzoyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid
SMILESCOc1ccc(C(=O)c2cnc3sc(C(=O)O)cn23)cc1
InChIInChI=1S/C14H10N2O4S/c1-20-9-4-2-8(3-5-9)12(17)10-6-15-14-16(10)7-11(21-14)13(18)19/h2-7H,1H3,(H,18,19)
InChIKeyIFGOUVYKAWEXNC-UHFFFAOYSA-N
XLogP2.33
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.31
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxybenzoyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid?
The IUPAC name of 5-(4-methoxybenzoyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid (CID 68514204) is 5-(4-methoxybenzoyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid.
What is the SMILES notation for 5-(4-methoxybenzoyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid?
The canonical SMILES for 5-(4-methoxybenzoyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid is COc1ccc(C(=O)c2cnc3sc(C(=O)O)cn23)cc1.
What is the InChIKey of 5-(4-methoxybenzoyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid?
The InChIKey is IFGOUVYKAWEXNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O4S/c1-20-9-4-2-8(3-5-9)12(17)10-6-15-14-16(10)7-11(21-14)13(18)19/h2-7H,1H3,(H,18,19).
What are the key properties of 5-(4-methoxybenzoyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid?
5-(4-methoxybenzoyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid has a molecular weight of 302.31 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxybenzoyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid is sourced from PubChem (CID 68514204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).